2-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: 2-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 2-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxo-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[[2-[1-cyclohexenyl(ethyl)amino]-2-oxoethyl]thio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]sulfanyl-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-keto-ethyl]thio]-N-cyclopropyl-cinchoninamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CCCCC1)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

CCN(C1=CCCCC1)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C23H27N3O2S/c1-2-26(17-8-4-3-5-9-17)22(27)15-29-21-14-19(23(28)24-16-12-13-16)18-10-6-7-11-20(18)25-21/h6-8,10-11,14,16H,2-5,9,12-13,15H2,1H3,(H,24,28)