4-methyl-3-(phenylcarbamothioylamino)benzoate

Systemtic Name: 4-methyl-3-(phenylcarbamothioylamino)benzoate Openeye Name: 4-methyl-3-(phenylcarbamothioylamino)benzoate CAS Name: 3-[[anilino(sulfanylidene)methyl]amino]-4-methylbenzoate IUPAC Name: 4-methyl-3-(phenylcarbamothioylamino)benzoate Traditional Name: 4-methyl-3-(phenylthiocarbamoylamino)benzoate Formula: C15H13N2O2S- MolecularWeight: 285.34092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])NC(=S)NC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])NC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C15H14N2O2S/c1-10-7-8-11(14(18)19)9-13(10)17-15(20)16-12-5-3-2-4-6-12/h2-9H,1H3,(H,18,19)(H2,16,17,20)/p-1