methyl 3-[(3-butoxyphenyl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[(3-butoxyphenyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[(3-butoxyphenyl)carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[(3-butoxyanilino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(3-butoxyphenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 3-[(3-butoxyphenyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

InChI

InChI=1S/C20H22N2O4S/c1-3-4-11-26-17-10-6-9-16(13-17)21-20(27)22-18(23)14-7-5-8-15(12-14)19(24)25-2/h5-10,12-13H,3-4,11H2,1-2H3,(H2,21,22,23,27)