methyl 3-(3,4-dihydro-2H-quinolin-1-ylcarbothioylcarbamoyl)benzoate

Systemtic Name: methyl 3-(3,4-dihydro-2H-quinolin-1-ylcarbothioylcarbamoyl)benzoate Openeye Name: methyl 3-(3,4-dihydro-2H-quinoline-1-carbothioylcarbamoyl)benzoate CAS Name: 3-[[[3,4-dihydro-2H-quinolin-1-yl(sulfanylidene)methyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-(3,4-dihydro-2H-quinoline-1-carbothioylcarbamoyl)benzoate Traditional Name: 3-(3,4-dihydro-2H-quinoline-1-carbothioylcarbamoyl)benzoic acid methyl ester Formula: C19H18N2O3S MolecularWeight: 354.42282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)N2CCCC3=CC=CC=C32

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)N2CCCC3=CC=CC=C32

InChI

InChI=1S/C19H18N2O3S/c1-24-18(23)15-8-4-7-14(12-15)17(22)20-19(25)21-11-5-9-13-6-2-3-10-16(13)21/h2-4,6-8,10,12H,5,9,11H2,1H3,(H,20,22,25)