N-[(6R)-3-aminocarbonyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-[(6R)-3-aminocarbonyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide Openeye Name: N-[(6R)-3-carbamoyl-6-propyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(4-isopropoxyphenyl)quinoline-4-carboxamide CAS Name: N-[(6R)-3-carbamoyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-propan-2-yloxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[(6R)-3-carbamoyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide Traditional Name: N-[(6R)-3-carbamoyl-6-propyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(4-isopropoxyphenyl)cinchoninamide Formula: C31H33N3O3S MolecularWeight: 527.67702

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)OC(C)C

Isomeric SMILES

CCC[C@@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)OC(C)C

InChI

InChI=1S/C31H33N3O3S/c1-4-7-19-10-15-23-27(16-19)38-31(28(23)29(32)35)34-30(36)24-17-26(33-25-9-6-5-8-22(24)25)20-11-13-21(14-12-20)37-18(2)3/h5-6,8-9,11-14,17-19H,4,7,10,15-16H2,1-3H3,(H2,32,35)(H,34,36)/t19-/m1/s1