(phenylmethyl) N'-phenyl-N,N-bis(phenylmethyl)carbamimidothioate

Systemtic Name: (phenylmethyl) N'-phenyl-N,N-bis(phenylmethyl)carbamimidothioate Openeye Name: 1,1,2-tribenzyl-3-phenyl-isothiourea CAS Name: N'-phenyl-N,N-bis(phenylmethyl)carbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N,N-dibenzyl-N'-phenylcarbamimidothioate Traditional Name: 1,1,2-tribenzyl-3-phenyl-isothiourea Formula: C28H26N2S MolecularWeight: 422.58444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26N2S/c1-5-13-24(14-6-1)21-30(22-25-15-7-2-8-16-25)28(29-27-19-11-4-12-20-27)31-23-26-17-9-3-10-18-26/h1-20H,21-23H2