3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1-[(1,3,5-trimethyl-4-pyrazolyl)methyl]thiourea IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CN(C)C(=S)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=C(C(=NN1C)C)CN(C)C(=S)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H22N4O2S/c1-11-14(12(2)21(4)19-11)10-20(3)17(24)18-13-5-6-15-16(9-13)23-8-7-22-15/h5-6,9H,7-8,10H2,1-4H3,(H,18,24)