methyl 2-(3,4-dihydro-2H-quinolin-1-ylcarbothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(3,4-dihydro-2H-quinolin-1-ylcarbothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(3,4-dihydro-2H-quinoline-1-carbothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[3,4-dihydro-2H-quinolin-1-yl(sulfanylidene)methyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(3,4-dihydro-2H-quinoline-1-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-(3,4-dihydro-2H-quinoline-1-carbothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C23H22N2O2S2 MolecularWeight: 422.56298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)N2CCCC3=CC=CC=C32)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)N2CCCC3=CC=CC=C32)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C23H22N2O2S2/c1-15-19(17-10-4-3-5-11-17)20(22(26)27-2)21(29-15)24-23(28)25-14-8-12-16-9-6-7-13-18(16)25/h3-7,9-11,13H,8,12,14H2,1-2H3,(H,24,28)