6-[[4-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]carbonylamino]-3-(phenylmethyl)benzimidazole-5-carboxamide

Systemtic Name: 6-[[4-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]carbonylamino]-3-(phenylmethyl)benzimidazole-5-carboxamide Openeye Name: 3-benzyl-6-[[4-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-benzoyl]amino]benzimidazole-5-carboxamide CAS Name: 6-[[[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-oxomethyl]amino]-3-(phenylmethyl)-5-benzimidazolecarboxamide IUPAC Name: 3-benzyl-6-[[4-(4-methylpiperazin-1-yl)sulfonyl-2-propoxybenzoyl]amino]benzimidazole-5-carboxamide Traditional Name: 3-benzyl-6-[[4-(4-methylpiperazino)sulfonyl-2-propoxy-benzoyl]amino]benzimidazole-5-carboxamide Formula: C30H34N6O5S MolecularWeight: 590.69316

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C)C(=O)NC3=CC4=C(C=C3C(=O)N)N(C=N4)CC5=CC=CC=C5

Isomeric SMILES

CCCOC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C)C(=O)NC3=CC4=C(C=C3C(=O)N)N(C=N4)CC5=CC=CC=C5

InChI

InChI=1S/C30H34N6O5S/c1-3-15-41-28-16-22(42(39,40)36-13-11-34(2)12-14-36)9-10-23(28)30(38)33-25-18-26-27(17-24(25)29(31)37)35(20-32-26)19-21-7-5-4-6-8-21/h4-10,16-18,20H,3,11-15,19H2,1-2H3,(H2,31,37)(H,33,38)