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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-phenethyl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-phenethyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-phenethylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-phenethylthiourea Traditional Name: 1-phenethyl-3-piperonyl-thiourea Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NCCC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C17H18N2O2S/c22-17(18-9-8-13-4-2-1-3-5-13)19-11-14-6-7-15-16(10-14)21-12-20-15/h1-7,10H,8-9,11-12H2,(H2,18,19,22)