methyl N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N'-(phenylmethyl)carbamimidothioate

Systemtic Name: methyl N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N'-(phenylmethyl)carbamimidothioate Openeye Name: 1-[(Z)-1,3-benzodioxol-5-ylmethyleneamino]-3-benzyl-2-methyl-isothiourea CAS Name: N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N'-(phenylmethyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N'-benzylcarbamimidothioate Traditional Name: 3-benzyl-2-methyl-1-[(Z)-piperonylideneamino]isothiourea Formula: C17H17N3O2S MolecularWeight: 327.40078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCC1=CC=CC=C1)NN=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CSC(=NCC1=CC=CC=C1)N/N=C\C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H17N3O2S/c1-23-17(18-10-13-5-3-2-4-6-13)20-19-11-14-7-8-15-16(9-14)22-12-21-15/h2-9,11H,10,12H2,1H3,(H,18,20)/b19-11-