1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(3,5-dimethyl-1-pyrazolyl)propyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiourea Traditional Name: 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-piperonyl-thiourea Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=S)NCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=S)NCC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C17H22N4O2S/c1-12-8-13(2)21(20-12)7-3-6-18-17(24)19-10-14-4-5-15-16(9-14)23-11-22-15/h4-5,8-9H,3,6-7,10-11H2,1-2H3,(H2,18,19,24)