ethyl 4-[[3-imidazol-1-ylpropyl-[(2-methylphenyl)methyl]carbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[[3-imidazol-1-ylpropyl-[(2-methylphenyl)methyl]carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[3-imidazol-1-ylpropyl(o-tolylmethyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[3-(1-imidazolyl)propyl-[(2-methylphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-imidazol-1-ylpropyl-[(2-methylphenyl)methyl]carbamothioyl]amino]benzoate Traditional Name: 4-[[3-imidazol-1-ylpropyl-(2-methylbenzyl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCCN2C=CN=C2)CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCCN2C=CN=C2)CC3=CC=CC=C3C

InChI

InChI=1S/C24H28N4O2S/c1-3-30-23(29)20-9-11-22(12-10-20)26-24(31)28(15-6-14-27-16-13-25-18-27)17-21-8-5-4-7-19(21)2/h4-5,7-13,16,18H,3,6,14-15,17H2,1-2H3,(H,26,31)