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

Systemtic Name: 1-[(4-cyano-3-methyl-1-oxidanylidene-pyrido[1,2-a]benzimidazol-2-ylidene)methylamino]-3-(furan-2-ylmethyl)thiourea Openeye Name: 1-[(4-cyano-3-methyl-1-oxo-pyrido[1,2-a]benzimidazol-2-ylidene)methylamino]-3-(2-furylmethyl)thiourea CAS Name: 1-[(4-cyano-3-methyl-1-oxo-2-pyrido[1,2-a]benzimidazolylidene)methylamino]-3-(2-furanylmethyl)thiourea IUPAC Name: 1-[(4-cyano-3-methyl-1-oxopyrido[1,2-a]benzimidazol-2-ylidene)methylamino]-3-(furan-2-ylmethyl)thiourea Traditional Name: 1-[(4-cyano-1-keto-3-methyl-pyrido[1,2-a]benzimidazol-2-ylidene)methylamino]-3-(2-furfuryl)thiourea Formula: C20H16N6O2S MolecularWeight: 404.44504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=O)C1=CNNC(=S)NCC4=CC=CO4)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=O)C1=CNNC(=S)NCC4=CC=CO4)C#N

InChI

InChI=1S/C20H16N6O2S/c1-12-14(9-21)18-24-16-6-2-3-7-17(16)26(18)19(27)15(12)11-23-25-20(29)22-10-13-5-4-8-28-13/h2-8,11,23H,10H2,1H3,(H2,22,25,29)