2-[3-[(4-ethanoylphenyl)amino]-3-oxidanylidene-propyl]sulfanylquinoline-4-carboxamide

Systemtic Name: 2-[3-[(4-ethanoylphenyl)amino]-3-oxidanylidene-propyl]sulfanylquinoline-4-carboxamide Openeye Name: 2-[3-(4-acetylanilino)-3-oxo-propyl]sulfanylquinoline-4-carboxamide CAS Name: 2-[[3-(4-acetylanilino)-3-oxopropyl]thio]-4-quinolinecarboxamide IUPAC Name: 2-[3-(4-acetylanilino)-3-oxopropyl]sulfanylquinoline-4-carboxamide Traditional Name: 2-[[3-(4-acetylanilino)-3-keto-propyl]thio]cinchoninamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=NC3=CC=CC=C3C(=C2)C(=O)N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=NC3=CC=CC=C3C(=C2)C(=O)N

InChI

InChI=1S/C21H19N3O3S/c1-13(25)14-6-8-15(9-7-14)23-19(26)10-11-28-20-12-17(21(22)27)16-4-2-3-5-18(16)24-20/h2-9,12H,10-11H2,1H3,(H2,22,27)(H,23,26)