propyl (6R)-6-methyl-2-[(2-phenylquinolin-4-yl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propyl (6R)-6-methyl-2-[(2-phenylquinolin-4-yl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl (6R)-6-methyl-2-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-6-methyl-2-[[[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propyl ester IUPAC Name: propyl (6R)-6-methyl-2-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-6-methyl-2-[(2-phenylquinoline-4-carbonyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid propyl ester Formula: C30H29N3O3S2 MolecularWeight: 543.69956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CC[C@H](C2)C)NC(=S)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C30H29N3O3S2/c1-3-15-36-29(35)26-21-14-13-18(2)16-25(21)38-28(26)33-30(37)32-27(34)22-17-24(19-9-5-4-6-10-19)31-23-12-8-7-11-20(22)23/h4-12,17-18H,3,13-16H2,1-2H3,(H2,32,33,34,37)/t18-/m1/s1