(phenylmethyl) N,N'-dimethyl-N-[2-(phenylmethylsulfanyl)-1,3-thiazol-5-yl]carbamimidothioate

Systemtic Name: (phenylmethyl) N,N'-dimethyl-N-[2-(phenylmethylsulfanyl)-1,3-thiazol-5-yl]carbamimidothioate Openeye Name: 2-benzyl-1-(2-benzylsulfanylthiazol-5-yl)-1,3-dimethyl-isothiourea CAS Name: N,N'-dimethyl-N-[2-(phenylmethylthio)-5-thiazolyl]carbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N-(2-benzylsulfanyl-1,3-thiazol-5-yl)-N,N'-dimethylcarbamimidothioate Traditional Name: 2-benzyl-1-[2-(benzylthio)thiazol-5-yl]-1,3-dimethyl-isothiourea Formula: C20H21N3S3 MolecularWeight: 399.59584

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(N(C)C1=CN=C(S1)SCC2=CC=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

CN=C(N(C)C1=CN=C(S1)SCC2=CC=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C20H21N3S3/c1-21-19(24-14-16-9-5-3-6-10-16)23(2)18-13-22-20(26-18)25-15-17-11-7-4-8-12-17/h3-13H,14-15H2,1-2H3