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

Systemtic Name: N-[(6S)-3-aminocarbonyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-methylphenyl)quinoline-4-carboxamide Openeye Name: N-[(6S)-3-carbamoyl-6-propyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(m-tolyl)quinoline-4-carboxamide CAS Name: N-[(6S)-3-carbamoyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-methylphenyl)-4-quinolinecarboxamide IUPAC Name: N-[(6S)-3-carbamoyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-methylphenyl)quinoline-4-carboxamide Traditional Name: N-[(6S)-3-carbamoyl-6-propyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(m-tolyl)cinchoninamide Formula: C29H29N3O2S MolecularWeight: 483.62446

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C29H29N3O2S/c1-3-7-18-12-13-21-25(15-18)35-29(26(21)27(30)33)32-28(34)22-16-24(19-9-6-8-17(2)14-19)31-23-11-5-4-10-20(22)23/h4-6,8-11,14,16,18H,3,7,12-13,15H2,1-2H3,(H2,30,33)(H,32,34)/t18-/m0/s1