methyl N-[(2-chlorophenyl)methyl]-N'-ethyl-N-(phenylmethyl)carbamimidothioate

Systemtic Name: methyl N-[(2-chlorophenyl)methyl]-N'-ethyl-N-(phenylmethyl)carbamimidothioate Openeye Name: 1-benzyl-1-[(2-chlorophenyl)methyl]-3-ethyl-2-methyl-isothiourea CAS Name: N-[(2-chlorophenyl)methyl]-N'-ethyl-N-(phenylmethyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-benzyl-N-[(2-chlorophenyl)methyl]-N'-ethylcarbamimidothioate Traditional Name: 1-benzyl-1-(2-chlorobenzyl)-3-ethyl-2-methyl-isothiourea Formula: C18H21ClN2S MolecularWeight: 332.89074

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C(N(CC1=CC=CC=C1)CC2=CC=CC=C2Cl)SC

Isomeric SMILES

CCN=C(N(CC1=CC=CC=C1)CC2=CC=CC=C2Cl)SC

InChI

InChI=1S/C18H21ClN2S/c1-3-20-18(22-2)21(13-15-9-5-4-6-10-15)14-16-11-7-8-12-17(16)19/h4-12H,3,13-14H2,1-2H3