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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]thiourea Traditional Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-piperonyl-thiourea Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N4O2S/c1-14-18(15(2)25(24-14)17-6-4-3-5-7-17)12-23-21(28)22-11-16-8-9-19-20(10-16)27-13-26-19/h3-10H,11-13H2,1-2H3,(H2,22,23,28)