butyl 3-[(3-methylphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: butyl 3-[(3-methylphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: butyl 3-[(3-methylbenzoyl)carbamothioylamino]benzoate CAS Name: 3-[[[[(3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-[(3-methylbenzoyl)carbamothioylamino]benzoate Traditional Name: 3-(m-toluoylthiocarbamoylamino)benzoic acid butyl ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=CC=C2)C

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=CC=C2)C

InChI

InChI=1S/C20H22N2O3S/c1-3-4-11-25-19(24)16-9-6-10-17(13-16)21-20(26)22-18(23)15-8-5-7-14(2)12-15/h5-10,12-13H,3-4,11H2,1-2H3,(H2,21,22,23,26)