1-[(E)-1-(1-methyl-2-oxidanyl-4-oxidanylidene-3H-quinolin-1-ium-3-yl)ethylideneamino]-3-phenyl-thiourea

Systemtic Name: 1-[(E)-1-(1-methyl-2-oxidanyl-4-oxidanylidene-3H-quinolin-1-ium-3-yl)ethylideneamino]-3-phenyl-thiourea Openeye Name: 1-[(E)-1-(2-hydroxy-1-methyl-4-oxo-3H-quinolin-1-ium-3-yl)ethylideneamino]-3-phenyl-thiourea CAS Name: 1-[(E)-1-(2-hydroxy-1-methyl-4-oxo-3H-quinolin-1-ium-3-yl)ethylideneamino]-3-phenylthiourea IUPAC Name: 1-[(E)-1-(2-hydroxy-1-methyl-4-oxo-3H-quinolin-1-ium-3-yl)ethylideneamino]-3-phenylthiourea Traditional Name: 1-[(E)-1-(2-hydroxy-4-keto-1-methyl-3H-quinolin-1-ium-3-yl)ethylideneamino]-3-phenyl-thiourea Formula: C19H19N4O2S+ MolecularWeight: 367.44476

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NC1=CC=CC=C1)C2C(=O)C3=CC=CC=C3[N+](=C2O)C

Isomeric SMILES

C/C(=N\NC(=S)NC1=CC=CC=C1)/C2C(=O)C3=CC=CC=C3[N+](=C2O)C

InChI

InChI=1S/C19H18N4O2S/c1-12(21-22-19(26)20-13-8-4-3-5-9-13)16-17(24)14-10-6-7-11-15(14)23(2)18(16)25/h3-11,16H,1-2H3,(H2,20,22,26)/p+1/b21-12+