1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylphenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylphenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(o-tolyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylphenyl)thiourea Traditional Name: 1-(o-tolyl)-3-piperonyl-thiourea Formula: C16H16N2O2S MolecularWeight: 300.37544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H16N2O2S/c1-11-4-2-3-5-13(11)18-16(21)17-9-12-6-7-14-15(8-12)20-10-19-14/h2-8H,9-10H2,1H3,(H2,17,18,21)