N-cyclopropyl-2-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[2-[4-(m-tolylmethyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[2-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-2-oxoethyl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[2-keto-2-[4-(3-methylbenzyl)piperazino]ethyl]thio]cinchoninamide Formula: C27H30N4O2S MolecularWeight: 474.6177

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=C3)C(=O)NC5CC5

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=C3)C(=O)NC5CC5

InChI

InChI=1S/C27H30N4O2S/c1-19-5-4-6-20(15-19)17-30-11-13-31(14-12-30)26(32)18-34-25-16-23(27(33)28-21-9-10-21)22-7-2-3-8-24(22)29-25/h2-8,15-16,21H,9-14,17-18H2,1H3,(H,28,33)