methyl N'-[[3-(aminomethyl)phenyl]methyl]carbamimidothioate

Systemtic Name: methyl N'-[[3-(aminomethyl)phenyl]methyl]carbamimidothioate Openeye Name: 3-[[3-(aminomethyl)phenyl]methyl]-2-methyl-isothiourea CAS Name: N'-[[3-(aminomethyl)phenyl]methyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[[3-(aminomethyl)phenyl]methyl]carbamimidothioate Traditional Name: 3-[3-(aminomethyl)benzyl]-2-methyl-isothiourea Formula: C10H15N3S MolecularWeight: 209.3112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCC1=CC(=CC=C1)CN)N

Isomeric SMILES

CSC(=NCC1=CC(=CC=C1)CN)N

InChI

InChI=1S/C10H15N3S/c1-14-10(12)13-7-9-4-2-3-8(5-9)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)