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

Systemtic Name: ethyl 4-[[3-imidazol-1-ylpropyl-[(4-methoxyphenyl)methyl]carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[3-imidazol-1-ylpropyl-[(4-methoxyphenyl)methyl]carbamothioyl]amino]benzoate CAS Name: 4-[[[3-(1-imidazolyl)propyl-[(4-methoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-imidazol-1-ylpropyl-[(4-methoxyphenyl)methyl]carbamothioyl]amino]benzoate Traditional Name: 4-[[3-imidazol-1-ylpropyl(p-anisyl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C24H28N4O3S MolecularWeight: 452.56912

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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=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCCN2C=CN=C2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C24H28N4O3S/c1-3-31-23(29)20-7-9-21(10-8-20)26-24(32)28(15-4-14-27-16-13-25-18-27)17-19-5-11-22(30-2)12-6-19/h5-13,16,18H,3-4,14-15,17H2,1-2H3,(H,26,32)