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

Systemtic Name: methyl 2-[[3-imidazol-1-ylpropyl-[(4-methoxyphenyl)methyl]carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[3-imidazol-1-ylpropyl-[(4-methoxyphenyl)methyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[3-(1-imidazolyl)propyl-[(4-methoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-imidazol-1-ylpropyl-[(4-methoxyphenyl)methyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[3-imidazol-1-ylpropyl(p-anisyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CCCN2C=CN=C2)C(=S)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CN(CCCN2C=CN=C2)C(=S)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C23H26N4O3S/c1-29-19-10-8-18(9-11-19)16-27(14-5-13-26-15-12-24-17-26)23(31)25-21-7-4-3-6-20(21)22(28)30-2/h3-4,6-12,15,17H,5,13-14,16H2,1-2H3,(H,25,31)