N-cyclopropyl-2-[2-[[(4-methylphenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[2-[[(4-methylphenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[2-oxo-2-[[p-tolyl(2-thienyl)methyl]amino]ethyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[2-keto-2-[[p-tolyl(2-thienyl)methyl]amino]ethyl]thio]cinchoninamide Formula: C27H25N3O2S2 MolecularWeight: 487.6363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CSC3=NC4=CC=CC=C4C(=C3)C(=O)NC5CC5

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CSC3=NC4=CC=CC=C4C(=C3)C(=O)NC5CC5

InChI

InChI=1S/C27H25N3O2S2/c1-17-8-10-18(11-9-17)26(23-7-4-14-33-23)30-24(31)16-34-25-15-21(27(32)28-19-12-13-19)20-5-2-3-6-22(20)29-25/h2-11,14-15,19,26H,12-13,16H2,1H3,(H,28,32)(H,30,31)