methyl 3-methyl-4-(phenylcarbonylcarbamothioylamino)benzoate

Systemtic Name: methyl 3-methyl-4-(phenylcarbonylcarbamothioylamino)benzoate Openeye Name: methyl 4-(benzoylcarbamothioylamino)-3-methyl-benzoate CAS Name: 4-[[benzamido(sulfanylidene)methyl]amino]-3-methylbenzoic acid methyl ester IUPAC Name: methyl 4-(benzoylcarbamothioylamino)-3-methylbenzoate Traditional Name: 4-(benzoylthiocarbamoylamino)-3-methyl-benzoic acid methyl ester Formula: C17H16N2O3S MolecularWeight: 328.38554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O3S/c1-11-10-13(16(21)22-2)8-9-14(11)18-17(23)19-15(20)12-6-4-3-5-7-12/h3-10H,1-2H3,(H2,18,19,20,23)