N-cyclopropyl-2-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[2-(3-methoxyphenyl)-2-oxo-ethyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[2-(3-methoxyphenyl)-2-oxoethyl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[2-keto-2-(3-methoxyphenyl)ethyl]thio]cinchoninamide Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C22H20N2O3S/c1-27-16-6-4-5-14(11-16)20(25)13-28-21-12-18(22(26)23-15-9-10-15)17-7-2-3-8-19(17)24-21/h2-8,11-12,15H,9-10,13H2,1H3,(H,23,26)