4-[[3-chloranyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]amino]-3-cyano-7-methoxy-N-oxidanyl-quinolin-6-amine oxide

Systemtic Name: 4-[[3-chloranyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]amino]-3-cyano-7-methoxy-N-oxidanyl-quinolin-6-amine oxide Openeye Name: 4-(3-chloro-4-thiazol-2-ylsulfanyl-anilino)-3-cyano-N-hydroxy-7-methoxy-quinolin-6-amine oxide CAS Name: 4-[3-chloro-4-(2-thiazolylthio)anilino]-3-cyano-N-hydroxy-7-methoxy-6-quinolinamine oxide IUPAC Name: 4-[3-chloro-4-(1,3-thiazol-2-ylsulfanyl)anilino]-3-cyano-N-hydroxy-7-methoxyquinolin-6-amine oxide Traditional Name: 4-[3-chloro-4-(thiazol-2-ylthio)anilino]-3-cyano-N-hydroxy-7-methoxy-quinolin-6-amine oxide Formula: C20H14ClN5O3S2 MolecularWeight: 471.93986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)SC4=NC=CS4)Cl)C#N)[NH+](O)[O-]

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)SC4=NC=CS4)Cl)C#N)[NH+](O)[O-]

InChI

InChI=1S/C20H14ClN5O3S2/c1-29-17-8-15-13(7-16(17)26(27)28)19(11(9-22)10-24-15)25-12-2-3-18(14(21)6-12)31-20-23-4-5-30-20/h2-8,10,26-27H,1H3,(H,24,25)