methyl 4-methyl-3-(phenylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-methyl-3-(phenylcarbamothioylamino)benzoate Openeye Name: methyl 4-methyl-3-(phenylcarbamothioylamino)benzoate CAS Name: 3-[[anilino(sulfanylidene)methyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-(phenylcarbamothioylamino)benzoate Traditional Name: 4-methyl-3-(phenylthiocarbamoylamino)benzoic acid methyl ester Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C16H16N2O2S/c1-11-8-9-12(15(19)20-2)10-14(11)18-16(21)17-13-6-4-3-5-7-13/h3-10H,1-2H3,(H2,17,18,21)