methyl 4-methyl-3-[(phenylmethyl)carbamothioylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[(phenylmethyl)carbamothioylamino]benzoate Openeye Name: methyl 3-(benzylcarbamothioylamino)-4-methyl-benzoate CAS Name: 4-methyl-3-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-(benzylcarbamothioylamino)-4-methylbenzoate Traditional Name: 3-(benzylthiocarbamoylamino)-4-methyl-benzoic acid methyl ester Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C17H18N2O2S/c1-12-8-9-14(16(20)21-2)10-15(12)19-17(22)18-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H2,18,19,22)