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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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