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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CN(C)C(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C(=NN1C)C)CN(C)C(=S)NC2=CC3=C(C=C2)OCO3

InChI

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