N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-butoxyphenyl)-6,8-dimethyl-quinoline-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-butoxyphenyl)-6,8-dimethyl-quinoline-4-carboxamide Openeye Name: 2-(3-butoxyphenyl)-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6,8-dimethyl-quinoline-4-carboxamide CAS Name: 2-(3-butoxyphenyl)-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-4-quinolinecarboxamide IUPAC Name: 2-(3-butoxyphenyl)-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethylquinoline-4-carboxamide Traditional Name: 2-(3-butoxyphenyl)-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6,8-dimethyl-cinchoninamide Formula: C33H37N3O3S MolecularWeight: 555.73018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)CC)C(=O)N)C)C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)CC)C(=O)N)C)C

InChI

InChI=1S/C33H37N3O3S/c1-5-7-13-39-23-10-8-9-22(17-23)27-18-26(25-15-19(3)14-20(4)30(25)35-27)32(38)36-33-29(31(34)37)24-12-11-21(6-2)16-28(24)40-33/h8-10,14-15,17-18,21H,5-7,11-13,16H2,1-4H3,(H2,34,37)(H,36,38)