(1-methylpyrrol-2-yl)methyl N'-(3-chlorophenyl)carbamimidothioate

Systemtic Name: (1-methylpyrrol-2-yl)methyl N'-(3-chlorophenyl)carbamimidothioate Openeye Name: 3-(3-chlorophenyl)-2-[(1-methylpyrrol-2-yl)methyl]isothiourea CAS Name: N'-(3-chlorophenyl)carbamimidothioic acid (1-methyl-2-pyrrolyl)methyl ester IUPAC Name: (1-methylpyrrol-2-yl)methyl N'-(3-chlorophenyl)carbamimidothioate Traditional Name: 3-(3-chlorophenyl)-2-[(1-methylpyrrol-2-yl)methyl]isothiourea Formula: C13H14ClN3S MolecularWeight: 279.78836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CSC(=NC2=CC(=CC=C2)Cl)N

Isomeric SMILES

CN1C=CC=C1CSC(=NC2=CC(=CC=C2)Cl)N

InChI

InChI=1S/C13H14ClN3S/c1-17-7-3-6-12(17)9-18-13(15)16-11-5-2-4-10(14)8-11/h2-8H,9H2,1H3,(H2,15,16)