2-(3-butoxyphenyl)-N-[3-[(4-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-4-carboxamide

Systemtic Name: 2-(3-butoxyphenyl)-N-[3-[(4-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-4-carboxamide Openeye Name: 2-(3-butoxyphenyl)-N-[3-[(4-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]quinoline-4-carboxamide CAS Name: 2-(3-butoxyphenyl)-N-[3-[(4-chloroanilino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-quinolinecarboxamide IUPAC Name: 2-(3-butoxyphenyl)-N-[3-[(4-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-4-carboxamide Traditional Name: 2-(3-butoxyphenyl)-N-[3-[(4-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]cinchoninamide Formula: C35H32ClN3O3S MolecularWeight: 610.16488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)NC6=CC=C(C=C6)Cl

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)NC6=CC=C(C=C6)Cl

InChI

InChI=1S/C35H32ClN3O3S/c1-2-3-19-42-25-10-8-9-22(20-25)30-21-28(26-11-4-6-13-29(26)38-30)33(40)39-35-32(27-12-5-7-14-31(27)43-35)34(41)37-24-17-15-23(36)16-18-24/h4,6,8-11,13,15-18,20-21H,2-3,5,7,12,14,19H2,1H3,(H,37,41)(H,39,40)