methyl N'-(3-chlorophenyl)-N,N-bis(phenylmethyl)carbamimidothioate

Systemtic Name: methyl N'-(3-chlorophenyl)-N,N-bis(phenylmethyl)carbamimidothioate Openeye Name: 1,1-dibenzyl-3-(3-chlorophenyl)-2-methyl-isothiourea CAS Name: N'-(3-chlorophenyl)-N,N-bis(phenylmethyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N,N-dibenzyl-N'-(3-chlorophenyl)carbamimidothioate Traditional Name: 1,1-dibenzyl-3-(3-chlorophenyl)-2-methyl-isothiourea Formula: C22H21ClN2S MolecularWeight: 380.93354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1=CC(=CC=C1)Cl)N(CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CSC(=NC1=CC(=CC=C1)Cl)N(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H21ClN2S/c1-26-22(24-21-14-8-13-20(23)15-21)25(16-18-9-4-2-5-10-18)17-19-11-6-3-7-12-19/h2-15H,16-17H2,1H3