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

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-ethoxyphenyl)-6,8-dimethyl-quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2-ethoxyphenyl)-6,8-dimethyl-quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-ethoxyphenyl)-6,8-dimethyl-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-ethoxyphenyl)-6,8-dimethylquinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6,8-dimethyl-2-o-phenetyl-cinchoninamide Formula: C29H29N3O3S MolecularWeight: 499.62386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NC3=C(C=C(C=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N)C)C

Isomeric SMILES

CCOC1=CC=CC=C1C2=NC3=C(C=C(C=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N)C)C

InChI

InChI=1S/C29H29N3O3S/c1-4-35-23-11-7-5-9-18(23)22-15-21(20-14-16(2)13-17(3)26(20)31-22)28(34)32-29-25(27(30)33)19-10-6-8-12-24(19)36-29/h5,7,9,11,13-15H,4,6,8,10,12H2,1-3H3,(H2,30,33)(H,32,34)