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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-(phenylmethyl)thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-1-methyl-thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-(phenylmethyl)thiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-1-methylthiourea Traditional Name: 1-benzyl-1-methyl-3-piperonyl-thiourea Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O2S/c1-19(11-13-5-3-2-4-6-13)17(22)18-10-14-7-8-15-16(9-14)21-12-20-15/h2-9H,10-12H2,1H3,(H,18,22)