(phenylmethyl) N'-phenyl-N-(1-phenylethyl)-N-(phenylmethyl)carbamimidothioate

Systemtic Name: (phenylmethyl) N'-phenyl-N-(1-phenylethyl)-N-(phenylmethyl)carbamimidothioate Openeye Name: 1,2-dibenzyl-3-phenyl-1-(1-phenylethyl)isothiourea CAS Name: N'-phenyl-N-(1-phenylethyl)-N-(phenylmethyl)carbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N-benzyl-N'-phenyl-N-(1-phenylethyl)carbamimidothioate Traditional Name: 1,2-dibenzyl-3-phenyl-1-(1-phenylethyl)isothiourea Formula: C29H28N2S MolecularWeight: 436.61102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(CC2=CC=CC=C2)C(=NC3=CC=CC=C3)SCC4=CC=CC=C4

Isomeric SMILES

CC(C1=CC=CC=C1)N(CC2=CC=CC=C2)C(=NC3=CC=CC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C29H28N2S/c1-24(27-18-10-4-11-19-27)31(22-25-14-6-2-7-15-25)29(30-28-20-12-5-13-21-28)32-23-26-16-8-3-9-17-26/h2-21,24H,22-23H2,1H3