1-(1,3-benzodioxol-5-ylmethyl)-3-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]thiourea Traditional Name: 1-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-piperonyl-thiourea Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H24N4O2S/c1-15-19(16(2)26(25-15)13-17-6-4-3-5-7-17)12-24-22(29)23-11-18-8-9-20-21(10-18)28-14-27-20/h3-10H,11-14H2,1-2H3,(H2,23,24,29)