1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylsulfanylphenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylsulfanylphenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylsulfanylphenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(methylthio)phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylsulfanylphenyl)thiourea Traditional Name: 1-[4-(methylthio)phenyl]-3-piperonyl-thiourea Formula: C16H16N2O2S2 MolecularWeight: 332.44044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H16N2O2S2/c1-22-13-5-3-12(4-6-13)18-16(21)17-9-11-2-7-14-15(8-11)20-10-19-14/h2-8H,9-10H2,1H3,(H2,17,18,21)