methyl N-(1,3-benzodioxol-5-ylmethyl)-N'-ethyl-N-(phenylmethyl)carbamimidothioate

Systemtic Name: methyl N-(1,3-benzodioxol-5-ylmethyl)-N'-ethyl-N-(phenylmethyl)carbamimidothioate Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-3-ethyl-2-methyl-isothiourea CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N'-ethyl-N-(phenylmethyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-(1,3-benzodioxol-5-ylmethyl)-N-benzyl-N'-ethylcarbamimidothioate Traditional Name: 1-benzyl-3-ethyl-2-methyl-1-piperonyl-isothiourea Formula: C19H22N2O2S MolecularWeight: 342.45518

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C(N(CC1=CC=CC=C1)CC2=CC3=C(C=C2)OCO3)SC

Isomeric SMILES

CCN=C(N(CC1=CC=CC=C1)CC2=CC3=C(C=C2)OCO3)SC

InChI

InChI=1S/C19H22N2O2S/c1-3-20-19(24-2)21(12-15-7-5-4-6-8-15)13-16-9-10-17-18(11-16)23-14-22-17/h4-11H,3,12-14H2,1-2H3