(phenylmethyl) N'-(furan-2-ylmethyl)-N,N-bis(phenylmethyl)carbamimidothioate

Systemtic Name: (phenylmethyl) N'-(furan-2-ylmethyl)-N,N-bis(phenylmethyl)carbamimidothioate Openeye Name: 1,1,2-tribenzyl-3-(2-furylmethyl)isothiourea CAS Name: N'-(2-furanylmethyl)-N,N-bis(phenylmethyl)carbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N,N-dibenzyl-N'-(furan-2-ylmethyl)carbamimidothioate Traditional Name: 1,1,2-tribenzyl-3-(2-furfuryl)isothiourea Formula: C27H26N2OS MolecularWeight: 426.57314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=NCC3=CC=CO3)SCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=NCC3=CC=CO3)SCC4=CC=CC=C4

InChI

InChI=1S/C27H26N2OS/c1-4-11-23(12-5-1)20-29(21-24-13-6-2-7-14-24)27(28-19-26-17-10-18-30-26)31-22-25-15-8-3-9-16-25/h1-18H,19-22H2