1-(1,3-benzodioxol-5-ylmethyl)-3-[phenyl-(phenylmethyl)amino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[phenyl-(phenylmethyl)amino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(N-benzylanilino)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(N-(phenylmethyl)anilino)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(N-benzylanilino)thiourea Traditional Name: 1-(N-benzylanilino)-3-piperonyl-thiourea Formula: C22H21N3O2S MolecularWeight: 391.48604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NN(CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NN(CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O2S/c28-22(23-14-18-11-12-20-21(13-18)27-16-26-20)24-25(19-9-5-2-6-10-19)15-17-7-3-1-4-8-17/h1-13H,14-16H2,(H2,23,24,28)