methyl N'-[3-(1-azanylpropyl)phenyl]carbamimidothioate

Systemtic Name: methyl N'-[3-(1-azanylpropyl)phenyl]carbamimidothioate Openeye Name: 3-[3-(1-aminopropyl)phenyl]-2-methyl-isothiourea CAS Name: N'-[3-(1-aminopropyl)phenyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[3-(1-aminopropyl)phenyl]carbamimidothioate Traditional Name: 3-[3-(1-aminopropyl)phenyl]-2-methyl-isothiourea Formula: C11H17N3S MolecularWeight: 223.33778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=CC=C1)N=C(N)SC)N

Isomeric SMILES

CCC(C1=CC(=CC=C1)N=C(N)SC)N

InChI

InChI=1S/C11H17N3S/c1-3-10(12)8-5-4-6-9(7-8)14-11(13)15-2/h4-7,10H,3,12H2,1-2H3,(H2,13,14)