ethyl 4-[[(phenylmethyl)-(thiophen-2-ylmethyl)carbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[[(phenylmethyl)-(thiophen-2-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[benzyl(2-thienylmethyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[(phenylmethyl)-(thiophen-2-ylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[benzyl(thiophen-2-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[benzyl(2-thenyl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C22H22N2O2S2 MolecularWeight: 410.55228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CC=CS3

InChI

InChI=1S/C22H22N2O2S2/c1-2-26-21(25)18-10-12-19(13-11-18)23-22(27)24(16-20-9-6-14-28-20)15-17-7-4-3-5-8-17/h3-14H,2,15-16H2,1H3,(H,23,27)