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

Systemtic Name: 1-[(4-cyano-3-methyl-1-oxidanylidene-pyrido[1,2-a]benzimidazol-2-ylidene)methylamino]-3-(3-methylbutyl)thiourea Openeye Name: 1-[(4-cyano-3-methyl-1-oxo-pyrido[1,2-a]benzimidazol-2-ylidene)methylamino]-3-isopentyl-thiourea CAS Name: 1-[(4-cyano-3-methyl-1-oxo-2-pyrido[1,2-a]benzimidazolylidene)methylamino]-3-(3-methylbutyl)thiourea IUPAC Name: 1-[(4-cyano-3-methyl-1-oxopyrido[1,2-a]benzimidazol-2-ylidene)methylamino]-3-(3-methylbutyl)thiourea Traditional Name: 1-[(4-cyano-1-keto-3-methyl-pyrido[1,2-a]benzimidazol-2-ylidene)methylamino]-3-isoamyl-thiourea Formula: C20H22N6OS MolecularWeight: 394.49328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=O)C1=CNNC(=S)NCCC(C)C)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=O)C1=CNNC(=S)NCCC(C)C)C#N

InChI

InChI=1S/C20H22N6OS/c1-12(2)8-9-22-20(28)25-23-11-15-13(3)14(10-21)18-24-16-6-4-5-7-17(16)26(18)19(15)27/h4-7,11-12,23H,8-9H2,1-3H3,(H2,22,25,28)