methyl N'-(2-methylpropyl)-N,N-bis(phenylmethyl)carbamimidothioate

Systemtic Name: methyl N'-(2-methylpropyl)-N,N-bis(phenylmethyl)carbamimidothioate Openeye Name: 1,1-dibenzyl-3-isobutyl-2-methyl-isothiourea CAS Name: N'-(2-methylpropyl)-N,N-bis(phenylmethyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N,N-dibenzyl-N'-(2-methylpropyl)carbamimidothioate Traditional Name: 1,1-dibenzyl-3-isobutyl-2-methyl-isothiourea Formula: C20H26N2S MolecularWeight: 326.49884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN=C(N(CC1=CC=CC=C1)CC2=CC=CC=C2)SC

Isomeric SMILES

CC(C)CN=C(N(CC1=CC=CC=C1)CC2=CC=CC=C2)SC

InChI

InChI=1S/C20H26N2S/c1-17(2)14-21-20(23-3)22(15-18-10-6-4-7-11-18)16-19-12-8-5-9-13-19/h4-13,17H,14-16H2,1-3H3