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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-cyanophenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-cyanophenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-cyanophenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-cyanophenyl)thiourea Traditional Name: 1-(3-cyanophenyl)-3-piperonyl-thiourea Formula: C16H13N3O2S MolecularWeight: 311.35832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C16H13N3O2S/c17-8-11-2-1-3-13(6-11)19-16(22)18-9-12-4-5-14-15(7-12)21-10-20-14/h1-7H,9-10H2,(H2,18,19,22)