methyl N'-(1-phenylethyl)-N,N-bis(phenylmethyl)carbamimidothioate

Systemtic Name: methyl N'-(1-phenylethyl)-N,N-bis(phenylmethyl)carbamimidothioate Openeye Name: 1,1-dibenzyl-2-methyl-3-(1-phenylethyl)isothiourea CAS Name: N'-(1-phenylethyl)-N,N-bis(phenylmethyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N,N-dibenzyl-N'-(1-phenylethyl)carbamimidothioate Traditional Name: 1,1-dibenzyl-2-methyl-3-(1-phenylethyl)isothiourea Formula: C24H26N2S MolecularWeight: 374.54164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N=C(N(CC2=CC=CC=C2)CC3=CC=CC=C3)SC

Isomeric SMILES

CC(C1=CC=CC=C1)N=C(N(CC2=CC=CC=C2)CC3=CC=CC=C3)SC

InChI

InChI=1S/C24H26N2S/c1-20(23-16-10-5-11-17-23)25-24(27-2)26(18-21-12-6-3-7-13-21)19-22-14-8-4-9-15-22/h3-17,20H,18-19H2,1-2H3