methyl 6-methyl-2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)carbothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 6-methyl-2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)carbothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-methyl-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H26N2O2S2 MolecularWeight: 414.58404

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)N3CCCC4=C3C=CC(=C4)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)N3CCCC4=C3C=CC(=C4)C

InChI

InChI=1S/C22H26N2O2S2/c1-13-7-9-17-15(11-13)5-4-10-24(17)22(27)23-20-19(21(25)26-3)16-8-6-14(2)12-18(16)28-20/h7,9,11,14H,4-6,8,10,12H2,1-3H3,(H,23,27)