ethyl 6-methyl-2-[[2-(3-propan-2-yloxyphenyl)quinolin-4-yl]carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-methyl-2-[[2-(3-propan-2-yloxyphenyl)quinolin-4-yl]carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-isopropoxyphenyl)quinoline-4-carbonyl]carbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[[[oxo-[2-(3-propan-2-yloxyphenyl)-4-quinolinyl]methyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-[[2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(3-isopropoxyphenyl)quinoline-4-carbonyl]thiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C32H33N3O4S2 MolecularWeight: 587.75212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)OC(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)OC(C)C

InChI

InChI=1S/C32H33N3O4S2/c1-5-38-31(37)28-23-14-13-19(4)15-27(23)41-30(28)35-32(40)34-29(36)24-17-26(33-25-12-7-6-11-22(24)25)20-9-8-10-21(16-20)39-18(2)3/h6-12,16-19H,5,13-15H2,1-4H3,(H2,34,35,36,40)