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

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethylphenyl)-3,6-dimethyl-quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-ethylphenyl)-3,6-dimethyl-quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethylphenyl)-3,6-dimethyl-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethylphenyl)-3,6-dimethylquinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-ethylphenyl)-3,6-dimethyl-cinchoninamide Formula: C29H29N3O2S MolecularWeight: 483.62446

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)C)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)C)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N)C

InChI

InChI=1S/C29H29N3O2S/c1-4-18-10-12-19(13-11-18)26-17(3)24(21-15-16(2)9-14-22(21)31-26)28(34)32-29-25(27(30)33)20-7-5-6-8-23(20)35-29/h9-15H,4-8H2,1-3H3,(H2,30,33)(H,32,34)