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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(C(=NC4=CC=CC=C43)C5=C(C=CC(=C5)C)C)C

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(C(=NC4=CC=CC=C43)C5=C(C=CC(=C5)C)C)C

InChI

InChI=1S/C30H31N3O2S/c1-5-19-12-13-21-24(15-19)36-30(26(21)28(31)34)33-29(35)25-18(4)27(22-14-16(2)10-11-17(22)3)32-23-9-7-6-8-20(23)25/h6-11,14,19H,5,12-13,15H2,1-4H3,(H2,31,34)(H,33,35)