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

Systemtic Name: N-(3-aminocarbonyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-6-propyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dimethylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-6-propyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3,4-dimethylphenyl)cinchoninamide Formula: C30H31N3O2S MolecularWeight: 497.65104

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C30H31N3O2S/c1-4-7-19-11-13-22-26(15-19)36-30(27(22)28(31)34)33-29(35)23-16-25(20-12-10-17(2)18(3)14-20)32-24-9-6-5-8-21(23)24/h5-6,8-10,12,14,16,19H,4,7,11,13,15H2,1-3H3,(H2,31,34)(H,33,35)