methyl N-cyano-N'-[(1S)-1-(3,4-dichlorophenyl)propyl]carbamimidothioate

Systemtic Name: methyl N-cyano-N'-[(1S)-1-(3,4-dichlorophenyl)propyl]carbamimidothioate Openeye Name: 1-cyano-3-[(1S)-1-(3,4-dichlorophenyl)propyl]-2-methyl-isothiourea CAS Name: N-cyano-N'-[(1S)-1-(3,4-dichlorophenyl)propyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[(1S)-1-(3,4-dichlorophenyl)propyl]carbamimidothioate Traditional Name: 1-cyano-3-[(1S)-1-(3,4-dichlorophenyl)propyl]-2-methyl-isothiourea Formula: C12H13Cl2N3S MolecularWeight: 302.22272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=C(C=C1)Cl)Cl)N=C(NC#N)SC

Isomeric SMILES

CC[C@@H](C1=CC(=C(C=C1)Cl)Cl)N=C(NC#N)SC

InChI

InChI=1S/C12H13Cl2N3S/c1-3-11(17-12(18-2)16-7-15)8-4-5-9(13)10(14)6-8/h4-6,11H,3H2,1-2H3,(H,16,17)/t11-/m0/s1