ethyl 4-[[phenethyl-(phenylmethyl)carbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[[phenethyl-(phenylmethyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[benzyl(phenethyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[phenethyl-(phenylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[benzyl(phenethyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[benzyl(phenethyl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C25H26N2O2S MolecularWeight: 418.55114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C25H26N2O2S/c1-2-29-24(28)22-13-15-23(16-14-22)26-25(30)27(19-21-11-7-4-8-12-21)18-17-20-9-5-3-6-10-20/h3-16H,2,17-19H2,1H3,(H,26,30)