(phenylmethyl) N-azanyl-N'-methyl-carbamimidothioate

Systemtic Name: (phenylmethyl) N-azanyl-N'-methyl-carbamimidothioate Openeye Name: 1-amino-2-benzyl-3-methyl-isothiourea CAS Name: N-amino-N'-methylcarbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N-amino-N'-methylcarbamimidothioate Traditional Name: 1-amino-2-benzyl-3-methyl-isothiourea Formula: C9H13N3S MolecularWeight: 195.28462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN=C(NN)SCC1=CC=CC=C1

Isomeric SMILES

CN=C(NN)SCC1=CC=CC=C1

InChI

InChI=1S/C9H13N3S/c1-11-9(12-10)13-7-8-5-3-2-4-6-8/h2-6H,7,10H2,1H3,(H,11,12)