butyl 3-[(2-methylphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: butyl 3-[(2-methylphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: butyl 3-[(2-methylbenzoyl)carbamothioylamino]benzoate CAS Name: 3-[[[[(2-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-[(2-methylbenzoyl)carbamothioylamino]benzoate Traditional Name: 3-(o-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=C2C

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=CC=C2C

InChI

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