5-(3-azanylpropylamino)-4-chloranyl-N-[1-methyl-5-[[1-methyl-5-[(1-methyl-5-piperidin-1-ylcarbonyl-pyrrol-3-yl)carbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-1,2-thiazole-3-carboxamide

Systemtic Name: 5-(3-azanylpropylamino)-4-chloranyl-N-[1-methyl-5-[[1-methyl-5-[(1-methyl-5-piperidin-1-ylcarbonyl-pyrrol-3-yl)carbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-1,2-thiazole-3-carboxamide Openeye Name: 5-(3-aminopropylamino)-4-chloro-N-[1-methyl-5-[[1-methyl-5-[[1-methyl-5-(piperidine-1-carbonyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]isothiazole-3-carboxamide CAS Name: 5-(3-aminopropylamino)-4-chloro-N-[1-methyl-5-[[[1-methyl-5-[[[1-methyl-5-[oxo(1-piperidinyl)methyl]-3-pyrrolyl]amino]-oxomethyl]-3-pyrrolyl]amino]-oxomethyl]-3-pyrrolyl]-3-isothiazolecarboxamide IUPAC Name: 5-(3-aminopropylamino)-4-chloro-N-[1-methyl-5-[[1-methyl-5-[[1-methyl-5-(piperidine-1-carbonyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-1,2-thiazole-3-carboxamide Traditional Name: 5-(3-aminopropylamino)-4-chloro-N-[1-methyl-5-[[1-methyl-5-[[1-methyl-5-(piperidine-1-carbonyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]isothiazole-3-carboxamide Formula: C30H37ClN10O4S MolecularWeight: 669.19738

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)N3CCCCC3)C)NC(=O)C4=CC(=CN4C)NC(=O)C5=NSC(=C5Cl)NCCCN

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)N3CCCCC3)C)NC(=O)C4=CC(=CN4C)NC(=O)C5=NSC(=C5Cl)NCCCN

InChI

InChI=1S/C30H37ClN10O4S/c1-38-15-18(12-21(38)27(43)35-20-14-23(40(3)17-20)30(45)41-10-5-4-6-11-41)34-26(42)22-13-19(16-39(22)2)36-28(44)25-24(31)29(46-37-25)33-9-7-8-32/h12-17,33H,4-11,32H2,1-3H3,(H,34,42)(H,35,43)(H,36,44)