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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(3,5-dimethyl-1-pyrazolyl)propyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiourea Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=S)NC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=S)NC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C16H20N4O2S/c1-11-8-12(2)20(19-11)7-3-6-17-16(23)18-13-4-5-14-15(9-13)22-10-21-14/h4-5,8-9H,3,6-7,10H2,1-2H3,(H2,17,18,23)