4-(1-butyl-2-oxidanylidene-3H-benzimidazol-5-yl)-N-[4-[[4-(dimethylamino)-1-phenylsulfanyl-butan-2-yl]amino]-3-nitro-phenyl]sulfonyl-benzamide

Systemtic Name: 4-(1-butyl-2-oxidanylidene-3H-benzimidazol-5-yl)-N-[4-[[4-(dimethylamino)-1-phenylsulfanyl-butan-2-yl]amino]-3-nitro-phenyl]sulfonyl-benzamide Openeye Name: 4-(1-butyl-2-oxo-3H-benzimidazol-5-yl)-N-[4-[[3-(dimethylamino)-1-(phenylsulfanylmethyl)propyl]amino]-3-nitro-phenyl]sulfonyl-benzamide CAS Name: 4-(1-butyl-2-oxo-3H-benzimidazol-5-yl)-N-[4-[[4-(dimethylamino)-1-(phenylthio)butan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide IUPAC Name: 4-(1-butyl-2-oxo-3H-benzimidazol-5-yl)-N-[4-[[4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide Traditional Name: 4-(1-butyl-2-keto-3H-benzimidazol-5-yl)-N-[4-[[3-(dimethylamino)-1-[(phenylthio)methyl]propyl]amino]-3-nitro-phenyl]sulfonyl-benzamide Formula: C36H40N6O6S2 MolecularWeight: 716.8694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NC(CCN(C)C)CSC5=CC=CC=C5)[N+](=O)[O-])NC1=O

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NC(CCN(C)C)CSC5=CC=CC=C5)[N+](=O)[O-])NC1=O

InChI

InChI=1S/C36H40N6O6S2/c1-4-5-20-41-33-18-15-27(22-32(33)38-36(41)44)25-11-13-26(14-12-25)35(43)39-50(47,48)30-16-17-31(34(23-30)42(45)46)37-28(19-21-40(2)3)24-49-29-9-7-6-8-10-29/h6-18,22-23,28,37H,4-5,19-21,24H2,1-3H3,(H,38,44)(H,39,43)