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

Systemtic Name: 1-[(4-cyano-3-methyl-1-oxidanylidene-pyrido[1,2-a]benzimidazol-2-ylidene)methylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(4-cyano-3-methyl-1-oxo-pyrido[1,2-a]benzimidazol-2-ylidene)methylamino]thiourea CAS Name: 1-[(4-cyano-3-methyl-1-oxo-2-pyrido[1,2-a]benzimidazolylidene)methylamino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(4-cyano-3-methyl-1-oxopyrido[1,2-a]benzimidazol-2-ylidene)methylamino]thiourea Traditional Name: 1-benzyl-3-[(4-cyano-1-keto-3-methyl-pyrido[1,2-a]benzimidazol-2-ylidene)methylamino]thiourea Formula: C22H18N6OS MolecularWeight: 414.48292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=O)C1=CNNC(=S)NCC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=O)C1=CNNC(=S)NCC4=CC=CC=C4)C#N

InChI

InChI=1S/C22H18N6OS/c1-14-16(11-23)20-26-18-9-5-6-10-19(18)28(20)21(29)17(14)13-25-27-22(30)24-12-15-7-3-2-4-8-15/h2-10,13,25H,12H2,1H3,(H2,24,27,30)