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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(phenylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(phenylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-benzylthiourea Traditional Name: 1-benzyl-3-piperonyl-thiourea Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NCC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C16H16N2O2S/c21-16(17-9-12-4-2-1-3-5-12)18-10-13-6-7-14-15(8-13)20-11-19-14/h1-8H,9-11H2,(H2,17,18,21)