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

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-butoxyphenyl)-7-chloranyl-8-methyl-quinoline-4-carboxamide Openeye Name: 2-(4-butoxyphenyl)-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-7-chloro-8-methyl-quinoline-4-carboxamide CAS Name: 2-(4-butoxyphenyl)-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-chloro-8-methyl-4-quinolinecarboxamide IUPAC Name: 2-(4-butoxyphenyl)-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-chloro-8-methylquinoline-4-carboxamide Traditional Name: 2-(4-butoxyphenyl)-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-7-chloro-8-methyl-cinchoninamide Formula: C30H30ClN3O3S MolecularWeight: 548.0955

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N

InChI

InChI=1S/C30H30ClN3O3S/c1-3-4-15-37-19-11-9-18(10-12-19)24-16-22(20-13-14-23(31)17(2)27(20)33-24)29(36)34-30-26(28(32)35)21-7-5-6-8-25(21)38-30/h9-14,16H,3-8,15H2,1-2H3,(H2,32,35)(H,34,36)