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

Systemtic Name: N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-chloranyl-2-(4-propylphenyl)quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-chloro-2-(4-propylphenyl)quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-chloro-2-(4-propylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-chloro-2-(4-propylphenyl)quinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-chloro-2-(4-propylphenyl)cinchoninamide Formula: C30H30ClN3O2S MolecularWeight: 532.0961

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)CC)C(=O)N

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)CC)C(=O)N

InChI

InChI=1S/C30H30ClN3O2S/c1-3-5-18-6-9-19(10-7-18)25-16-23(22-15-20(31)11-13-24(22)33-25)29(36)34-30-27(28(32)35)21-12-8-17(4-2)14-26(21)37-30/h6-7,9-11,13,15-17H,3-5,8,12,14H2,1-2H3,(H2,32,35)(H,34,36)