ethyl 2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)carbothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)carbothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]thiophene-3-carboxylate CAS Name: 2-[[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C25H26N2O2S2 MolecularWeight: 450.61614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCCC4=C3C=CC(=C4)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCCC4=C3C=CC(=C4)C

InChI

InChI=1S/C25H26N2O2S2/c1-3-29-24(28)21-16-20(15-18-8-5-4-6-9-18)31-23(21)26-25(30)27-13-7-10-19-14-17(2)11-12-22(19)27/h4-6,8-9,11-12,14,16H,3,7,10,13,15H2,1-2H3,(H,26,30)