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

Systemtic Name: 1-[(4-cyano-3-methyl-1-oxidanylidene-pyrido[1,2-a]benzimidazol-2-ylidene)methylamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-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-prop-2-enylthiourea IUPAC Name: 1-[(4-cyano-3-methyl-1-oxopyrido[1,2-a]benzimidazol-2-ylidene)methylamino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(4-cyano-1-keto-3-methyl-pyrido[1,2-a]benzimidazol-2-ylidene)methylamino]thiourea Formula: C18H16N6OS MolecularWeight: 364.42424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N6OS/c1-3-8-20-18(26)23-21-10-13-11(2)12(9-19)16-22-14-6-4-5-7-15(14)24(16)17(13)25/h3-7,10,21H,1,8H2,2H3,(H2,20,23,26)