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

Systemtic Name: N-(3-aminocarbonyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-methylphenyl)quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-6-propyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(o-tolyl)quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-methylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-methylphenyl)quinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-6-propyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(o-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=C5C

Isomeric SMILES

CCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5C

InChI

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