N-[3-(cyclopentylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: N-[3-(cyclopentylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: N-[3-(cyclopentylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: N-[3-[(cyclopentylamino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[3-(cyclopentylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: N-[3-(cyclopentylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(3-pyridyl)cinchoninamide Formula: C29H28N4O2S MolecularWeight: 496.62322

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC(=NC5=CC=CC=C54)C6=CN=CC=C6

Isomeric SMILES

C1CCC(C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC(=NC5=CC=CC=C54)C6=CN=CC=C6

InChI

InChI=1S/C29H28N4O2S/c34-27(22-16-24(18-8-7-15-30-17-18)32-23-13-5-3-11-20(22)23)33-29-26(21-12-4-6-14-25(21)36-29)28(35)31-19-9-1-2-10-19/h3,5,7-8,11,13,15-17,19H,1-2,4,6,9-10,12,14H2,(H,31,35)(H,33,34)