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

Systemtic Name: N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-butylphenyl)-8-chloranyl-quinoline-4-carboxamide Openeye Name: 2-(4-butylphenyl)-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-chloro-quinoline-4-carboxamide CAS Name: 2-(4-butylphenyl)-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-chloro-4-quinolinecarboxamide IUPAC Name: 2-(4-butylphenyl)-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-chloroquinoline-4-carboxamide Traditional Name: 2-(4-butylphenyl)-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-chloro-cinchoninamide Formula: C31H32ClN3O2S MolecularWeight: 546.12268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)CC)C(=O)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)CC)C(=O)N

InChI

InChI=1S/C31H32ClN3O2S/c1-3-5-7-19-10-13-20(14-11-19)25-17-23(21-8-6-9-24(32)28(21)34-25)30(37)35-31-27(29(33)36)22-15-12-18(4-2)16-26(22)38-31/h6,8-11,13-14,17-18H,3-5,7,12,15-16H2,1-2H3,(H2,33,36)(H,35,37)