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

Systemtic Name: 3-[(4-fluorophenyl)methyl]-6-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]carbonylamino]benzimidazole-5-carboxamide Openeye Name: 3-[(4-fluorophenyl)methyl]-6-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-benzoyl]amino]benzimidazole-5-carboxamide CAS Name: 3-[(4-fluorophenyl)methyl]-6-[[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-oxomethyl]amino]-5-benzimidazolecarboxamide IUPAC Name: 3-[(4-fluorophenyl)methyl]-6-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxybenzoyl]amino]benzimidazole-5-carboxamide Traditional Name: 3-(4-fluorobenzyl)-6-[[5-(4-methylpiperazino)sulfonyl-2-propoxy-benzoyl]amino]benzimidazole-5-carboxamide Formula: C30H33FN6O5S MolecularWeight: 608.683623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H33FN6O5S/c1-3-14-42-28-9-8-22(43(40,41)37-12-10-35(2)11-13-37)15-24(28)30(39)34-25-17-26-27(16-23(25)29(32)38)36(19-33-26)18-20-4-6-21(31)7-5-20/h4-9,15-17,19H,3,10-14,18H2,1-2H3,(H2,32,38)(H,34,39)