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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6OS/c1-3-4-7-10-22-20(28)25-23-12-15-13(2)14(11-21)18-24-16-8-5-6-9-17(16)26(18)19(15)27/h5-6,8-9,12,23H,3-4,7,10H2,1-2H3,(H2,22,25,28)