N-[5-[[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-4-[[4-(2-chloroethylsulfanyl)phenyl]carbonylamino]-1-methyl-pyrrole-2-carboxamide

Systemtic Name: N-[5-[[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-4-[[4-(2-chloroethylsulfanyl)phenyl]carbonylamino]-1-methyl-pyrrole-2-carboxamide Openeye Name: N-[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-4-[[4-(2-chloroethylsulfanyl)benzoyl]amino]-1-methyl-pyrrole-2-carboxamide CAS Name: N-[5-[[[5-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]-4-[[[4-(2-chloroethylthio)phenyl]-oxomethyl]amino]-1-methyl-2-pyrrolecarboxamide IUPAC Name: N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-[[4-(2-chloroethylsulfanyl)benzoyl]amino]-1-methylpyrrole-2-carboxamide Traditional Name: N-[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-4-[[4-(2-chloroethylthio)benzoyl]amino]-1-methyl-pyrrole-2-carboxamide Formula: C30H34ClN9O4S MolecularWeight: 652.16686

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=N)N)C)C)NC(=O)C4=CC=C(C=C4)SCCCl

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=N)N)C)C)NC(=O)C4=CC=C(C=C4)SCCCl

InChI

InChI=1S/C30H34ClN9O4S/c1-38-16-20(12-23(38)28(42)34-10-8-26(32)33)36-30(44)25-14-21(17-40(25)3)37-29(43)24-13-19(15-39(24)2)35-27(41)18-4-6-22(7-5-18)45-11-9-31/h4-7,12-17H,8-11H2,1-3H3,(H3,32,33)(H,34,42)(H,35,41)(H,36,44)(H,37,43)