methyl 3-(ethylcarbamothioylcarbamoyl)benzoate

Systemtic Name: methyl 3-(ethylcarbamothioylcarbamoyl)benzoate Openeye Name: methyl 3-(ethylcarbamothioylcarbamoyl)benzoate CAS Name: 3-[[[ethylamino(sulfanylidene)methyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-(ethylcarbamothioylcarbamoyl)benzoate Traditional Name: 3-(ethylthiocarbamoylcarbamoyl)benzoic acid methyl ester Formula: C12H14N2O3S MolecularWeight: 266.31616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC(=O)C1=CC(=CC=C1)C(=O)OC

Isomeric SMILES

CCNC(=S)NC(=O)C1=CC(=CC=C1)C(=O)OC

InChI

InChI=1S/C12H14N2O3S/c1-3-13-12(18)14-10(15)8-5-4-6-9(7-8)11(16)17-2/h4-7H,3H2,1-2H3,(H2,13,14,15,18)