N-[4-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]phenyl]-2-quinolin-8-ylsulfanyl-ethanamide

Systemtic Name: N-[4-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]phenyl]-2-quinolin-8-ylsulfanyl-ethanamide Openeye Name: N-[4-[4-(3-methoxybenzoyl)piperazin-1-yl]phenyl]-2-(8-quinolylsulfanyl)acetamide CAS Name: N-[4-[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-(8-quinolinylthio)acetamide IUPAC Name: N-[4-[4-(3-methoxybenzoyl)piperazin-1-yl]phenyl]-2-quinolin-8-ylsulfanylacetamide Traditional Name: N-[4-(4-m-anisoylpiperazino)phenyl]-2-(8-quinolylthio)acetamide Formula: C29H28N4O3S MolecularWeight: 512.62262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C29H28N4O3S/c1-36-25-8-2-6-22(19-25)29(35)33-17-15-32(16-18-33)24-12-10-23(11-13-24)31-27(34)20-37-26-9-3-5-21-7-4-14-30-28(21)26/h2-14,19H,15-18,20H2,1H3,(H,31,34)