methyl N'-butyl-N,N-bis(phenylmethyl)carbamimidothioate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2S/c1-3-4-15-21-20(23-2)22(16-18-11-7-5-8-12-18)17-19-13-9-6-10-14-19/h5-14H,3-4,15-17H2,1-2H3