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

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-phenyl-quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-phenyl-quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-phenylquinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-phenyl-cinchoninamide Formula: C27H25N3O2S MolecularWeight: 455.5713

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC2=C(CC1)C(=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5)C(=O)N

Isomeric SMILES

C1CCCC2=C(CC1)C(=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C27H25N3O2S/c28-25(31)24-19-13-6-1-2-7-15-23(19)33-27(24)30-26(32)20-16-22(17-10-4-3-5-11-17)29-21-14-9-8-12-18(20)21/h3-5,8-12,14,16H,1-2,6-7,13,15H2,(H2,28,31)(H,30,32)