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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(p-tolyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)thiourea Traditional Name: 1-piperonyl-3-(p-tolyl)thiourea Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

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