1-butyl-3-[(4-cyano-3-methyl-1-oxidanylidene-pyrido[1,2-a]benzimidazol-2-ylidene)methylamino]thiourea

Systemtic Name: 1-butyl-3-[(4-cyano-3-methyl-1-oxidanylidene-pyrido[1,2-a]benzimidazol-2-ylidene)methylamino]thiourea Openeye Name: 1-butyl-3-[(4-cyano-3-methyl-1-oxo-pyrido[1,2-a]benzimidazol-2-ylidene)methylamino]thiourea CAS Name: 1-butyl-3-[(4-cyano-3-methyl-1-oxo-2-pyrido[1,2-a]benzimidazolylidene)methylamino]thiourea IUPAC Name: 1-butyl-3-[(4-cyano-3-methyl-1-oxopyrido[1,2-a]benzimidazol-2-ylidene)methylamino]thiourea Traditional Name: 1-butyl-3-[(4-cyano-1-keto-3-methyl-pyrido[1,2-a]benzimidazol-2-ylidene)methylamino]thiourea Formula: C19H20N6OS MolecularWeight: 380.4667

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NNC=C1C(=C(C2=NC3=CC=CC=C3N2C1=O)C#N)C

Isomeric SMILES

CCCCNC(=S)NNC=C1C(=C(C2=NC3=CC=CC=C3N2C1=O)C#N)C

InChI

InChI=1S/C19H20N6OS/c1-3-4-9-21-19(27)24-22-11-14-12(2)13(10-20)17-23-15-7-5-6-8-16(15)25(17)18(14)26/h5-8,11,22H,3-4,9H2,1-2H3,(H2,21,24,27)