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

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-butan-2-ylphenyl)-6-chloranyl-quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-chloro-2-(4-sec-butylphenyl)quinoline-4-carboxamide CAS Name: 2-(4-butan-2-ylphenyl)-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-chloro-4-quinolinecarboxamide IUPAC Name: 2-(4-butan-2-ylphenyl)-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-chloroquinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-chloro-2-(4-sec-butylphenyl)cinchoninamide Formula: C29H28ClN3O2S MolecularWeight: 518.06952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N

InChI

InChI=1S/C29H28ClN3O2S/c1-3-16(2)17-8-10-18(11-9-17)24-15-22(21-14-19(30)12-13-23(21)32-24)28(35)33-29-26(27(31)34)20-6-4-5-7-25(20)36-29/h8-16H,3-7H2,1-2H3,(H2,31,34)(H,33,35)