3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-phenyl-thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-phenyl-thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-phenyl-thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-phenylthiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-phenylthiourea Traditional Name: 1-methyl-1-phenyl-3-piperonyl-thiourea Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN(C1=CC=CC=C1)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

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