N-(3-aminocarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-6-methyl-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-6-methyl-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-6-methyl-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-6-methyl-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-6-methyl-2-(3-pyridyl)cinchoninamide Formula: C27H26N4O2S MolecularWeight: 470.58594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=C(C4=C(S3)CCCCCC4)C(=O)N)C5=CN=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=C(C4=C(S3)CCCCCC4)C(=O)N)C5=CN=CC=C5

InChI

InChI=1S/C27H26N4O2S/c1-16-10-11-21-19(13-16)20(14-22(30-21)17-7-6-12-29-15-17)26(33)31-27-24(25(28)32)18-8-4-2-3-5-9-23(18)34-27/h6-7,10-15H,2-5,8-9H2,1H3,(H2,28,32)(H,31,33)