methyl 2-butyl-3-[[4-[2-[(Z)-N'-imidazol-1-ylcarbothioyloxycarbamimidoyl]phenyl]phenyl]methyl]benzimidazole-4-carboxylate

Systemtic Name: methyl 2-butyl-3-[[4-[2-[(Z)-N'-imidazol-1-ylcarbothioyloxycarbamimidoyl]phenyl]phenyl]methyl]benzimidazole-4-carboxylate Openeye Name: methyl 2-butyl-3-[[4-[2-[(Z)-N'-(imidazole-1-carbothioyloxy)carbamimidoyl]phenyl]phenyl]methyl]benzimidazole-4-carboxylate CAS Name: 3-[[4-[2-[(Z)-amino-[1-imidazolyl(sulfanylidene)methoxy]iminomethyl]phenyl]phenyl]methyl]-2-butyl-4-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-butyl-3-[[4-[2-[(Z)-N'-(imidazole-1-carbothioyloxy)carbamimidoyl]phenyl]phenyl]methyl]benzimidazole-4-carboxylate Traditional Name: 2-butyl-3-[4-[2-[(Z)-N'-(imidazole-1-carbothioyloxy)amidino]phenyl]benzyl]benzimidazole-4-carboxylic acid methyl ester Formula: C31H30N6O3S MolecularWeight: 566.6733

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=NOC(=S)N5C=CN=C5)N)C(=O)OC

Isomeric SMILES

CCCCC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4/C(=N/OC(=S)N5C=CN=C5)/N)C(=O)OC

InChI

InChI=1S/C31H30N6O3S/c1-3-4-12-27-34-26-11-7-10-25(30(38)39-2)28(26)37(27)19-21-13-15-22(16-14-21)23-8-5-6-9-24(23)29(32)35-40-31(41)36-18-17-33-20-36/h5-11,13-18,20H,3-4,12,19H2,1-2H3,(H2,32,35)