4-chloranyl-N-[5-[[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-5-[2-(hexylamino)ethylamino]-1,2-thiazole-3-carboxamide

Systemtic Name: 4-chloranyl-N-[5-[[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-5-[2-(hexylamino)ethylamino]-1,2-thiazole-3-carboxamide Openeye Name: 4-chloro-N-[5-[[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-5-[2-(hexylamino)ethylamino]isothiazole-3-carboxamide CAS Name: 4-chloro-N-[5-[[[5-[[[5-[[3-(dimethylamino)propylamino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]-5-[2-(hexylamino)ethylamino]-3-isothiazolecarboxamide IUPAC Name: 4-chloro-N-[5-[[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-5-[2-(hexylamino)ethylamino]-1,2-thiazole-3-carboxamide Traditional Name: 4-chloro-N-[5-[[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-5-[2-(hexylamino)ethylamino]isothiazole-3-carboxamide Formula: C35H50ClN11O4S MolecularWeight: 756.3608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNCCNC1=C(C(=NS1)C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCCN(C)C)C)C)C)Cl

Isomeric SMILES

CCCCCCNCCNC1=C(C(=NS1)C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCCN(C)C)C)C)C)Cl

InChI

InChI=1S/C35H50ClN11O4S/c1-7-8-9-10-12-37-14-15-39-35-29(36)30(43-52-35)34(51)42-25-19-28(47(6)22-25)33(50)41-24-18-27(46(5)21-24)32(49)40-23-17-26(45(4)20-23)31(48)38-13-11-16-44(2)3/h17-22,37,39H,7-16H2,1-6H3,(H,38,48)(H,40,49)(H,41,50)(H,42,51)