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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-phenylmethoxy-thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-benzyloxy-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-phenylmethoxythiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-phenylmethoxythiourea Traditional Name: 1-benzoxy-3-piperonyl-thiourea Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NOCC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NOCC3=CC=CC=C3

InChI

InChI=1S/C16H16N2O3S/c22-16(18-21-10-12-4-2-1-3-5-12)17-9-13-6-7-14-15(8-13)20-11-19-14/h1-8H,9-11H2,(H2,17,18,22)