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

Systemtic Name: 1-[(4-cyano-3-methyl-1-oxidanylidene-pyrido[1,2-a]benzimidazol-2-ylidene)methylamino]-3-propyl-thiourea Openeye Name: 1-[(4-cyano-3-methyl-1-oxo-pyrido[1,2-a]benzimidazol-2-ylidene)methylamino]-3-propyl-thiourea CAS Name: 1-[(4-cyano-3-methyl-1-oxo-2-pyrido[1,2-a]benzimidazolylidene)methylamino]-3-propylthiourea IUPAC Name: 1-[(4-cyano-3-methyl-1-oxopyrido[1,2-a]benzimidazol-2-ylidene)methylamino]-3-propylthiourea Traditional Name: 1-[(4-cyano-1-keto-3-methyl-pyrido[1,2-a]benzimidazol-2-ylidene)methylamino]-3-propyl-thiourea Formula: C18H18N6OS MolecularWeight: 366.44012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N6OS/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/h4-7,10,21H,3,8H2,1-2H3,(H2,20,23,26)