6-chloranyl-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-propoxyphenyl)quinoline-4-carboxamide

Systemtic Name: 6-chloranyl-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-propoxyphenyl)quinoline-4-carboxamide Openeye Name: 6-chloro-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-propoxyphenyl)quinoline-4-carboxamide CAS Name: 6-chloro-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-propoxyphenyl)-4-quinolinecarboxamide IUPAC Name: 6-chloro-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-propoxyphenyl)quinoline-4-carboxamide Traditional Name: 6-chloro-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-propoxyphenyl)cinchoninamide Formula: C30H28ClN3O2S MolecularWeight: 530.08022

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)CC)C#N

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)CC)C#N

InChI

InChI=1S/C30H28ClN3O2S/c1-3-12-36-21-7-5-6-19(14-21)27-16-24(23-15-20(31)9-11-26(23)33-27)29(35)34-30-25(17-32)22-10-8-18(4-2)13-28(22)37-30/h5-7,9,11,14-16,18H,3-4,8,10,12-13H2,1-2H3,(H,34,35)