N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-isopropylphenyl)-8-methyl-quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-2-(4-propan-2-ylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-methyl-2-p-cumenyl-cinchoninamide Formula: C29H29N3O2S MolecularWeight: 483.62446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N)C5=CC=C(C=C5)C(C)C

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N)C5=CC=C(C=C5)C(C)C

InChI

InChI=1S/C29H29N3O2S/c1-16(2)18-11-13-19(14-12-18)23-15-22(20-9-6-7-17(3)26(20)31-23)28(34)32-29-25(27(30)33)21-8-4-5-10-24(21)35-29/h6-7,9,11-16H,4-5,8,10H2,1-3H3,(H2,30,33)(H,32,34)