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

Systemtic Name: N-[(6R)-3-aminocarbonyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-ethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-[(6R)-3-carbamoyl-6-propyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(3-ethoxyphenyl)quinoline-4-carboxamide CAS Name: N-[(6R)-3-carbamoyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-ethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[(6R)-3-carbamoyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-ethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-[(6R)-3-carbamoyl-6-propyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-m-phenetyl-cinchoninamide Formula: C30H31N3O3S MolecularWeight: 513.65044

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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(=CC=C5)OCC

Isomeric SMILES

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

InChI

InChI=1S/C30H31N3O3S/c1-3-8-18-13-14-22-26(15-18)37-30(27(22)28(31)34)33-29(35)23-17-25(32-24-12-6-5-11-21(23)24)19-9-7-10-20(16-19)36-4-2/h5-7,9-12,16-18H,3-4,8,13-15H2,1-2H3,(H2,31,34)(H,33,35)/t18-/m1/s1