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

Systemtic Name: 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[[2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl]thio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[[2-[4-(3-chlorophenyl)piperazino]-2-keto-ethyl]thio]-N-cyclopropyl-cinchoninamide Formula: C25H25ClN4O2S MolecularWeight: 481.0096

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)N4CCN(CC4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)N4CCN(CC4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C25H25ClN4O2S/c26-17-4-3-5-19(14-17)29-10-12-30(13-11-29)24(31)16-33-23-15-21(25(32)27-18-8-9-18)20-6-1-2-7-22(20)28-23/h1-7,14-15,18H,8-13,16H2,(H,27,32)