methyl N-(1,3-benzodioxol-5-yl)-N'-(4-cyanophenyl)carbamimidothioate

Systemtic Name: methyl N-(1,3-benzodioxol-5-yl)-N'-(4-cyanophenyl)carbamimidothioate Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(4-cyanophenyl)-2-methyl-isothiourea CAS Name: N-(1,3-benzodioxol-5-yl)-N'-(4-cyanophenyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-(1,3-benzodioxol-5-yl)-N'-(4-cyanophenyl)carbamimidothioate Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(4-cyanophenyl)-2-methyl-isothiourea Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1=CC=C(C=C1)C#N)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CSC(=NC1=CC=C(C=C1)C#N)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H13N3O2S/c1-22-16(18-12-4-2-11(9-17)3-5-12)19-13-6-7-14-15(8-13)21-10-20-14/h2-8H,10H2,1H3,(H,18,19)