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

Systemtic Name: 1-[(4-cyano-3-methyl-1-oxidanylidene-pyrido[1,2-a]benzimidazol-2-ylidene)methylamino]-3-cyclopentyl-thiourea Openeye Name: 1-[(4-cyano-3-methyl-1-oxo-pyrido[1,2-a]benzimidazol-2-ylidene)methylamino]-3-cyclopentyl-thiourea CAS Name: 1-[(4-cyano-3-methyl-1-oxo-2-pyrido[1,2-a]benzimidazolylidene)methylamino]-3-cyclopentylthiourea IUPAC Name: 1-[(4-cyano-3-methyl-1-oxopyrido[1,2-a]benzimidazol-2-ylidene)methylamino]-3-cyclopentylthiourea Traditional Name: 1-[(4-cyano-1-keto-3-methyl-pyrido[1,2-a]benzimidazol-2-ylidene)methylamino]-3-cyclopentyl-thiourea Formula: C20H20N6OS MolecularWeight: 392.4774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=O)C1=CNNC(=S)NC4CCCC4)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=O)C1=CNNC(=S)NC4CCCC4)C#N

InChI

InChI=1S/C20H20N6OS/c1-12-14(10-21)18-24-16-8-4-5-9-17(16)26(18)19(27)15(12)11-22-25-20(28)23-13-6-2-3-7-13/h4-5,8-9,11,13,22H,2-3,6-7H2,1H3,(H2,23,25,28)