3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl N-cyano-N'-methyl-carbamimidothioate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl N-cyano-N'-methyl-carbamimidothioate Openeye Name: 1-cyano-3-methyl-2-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]isothiourea CAS Name: N-cyano-N'-methylcarbamimidothioic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl N-cyano-N'-methylcarbamimidothioate Traditional Name: 1-cyano-2-[3-(2-keto-3H-benzimidazol-1-yl)propyl]-3-methyl-isothiourea Formula: C13H15N5OS MolecularWeight: 289.3561

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NC#N)SCCCN1C2=CC=CC=C2NC1=O

Isomeric SMILES

CN=C(NC#N)SCCCN1C2=CC=CC=C2NC1=O

InChI

InChI=1S/C13H15N5OS/c1-15-12(16-9-14)20-8-4-7-18-11-6-3-2-5-10(11)17-13(18)19/h2-3,5-6H,4,7-8H2,1H3,(H,15,16)(H,17,19)