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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]thiourea Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)CNC(=S)NC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)CNC(=S)NC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C16H20N4O2S/c1-4-20-11(3)13(10(2)19-20)8-17-16(23)18-12-5-6-14-15(7-12)22-9-21-14/h5-7H,4,8-9H2,1-3H3,(H2,17,18,23)