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

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]thiourea Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]thiourea CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1-[(1-methyl-4-pyrazolyl)methyl]thiourea IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]thiourea Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]thiourea Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN(C)C(=S)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CN1C=C(C=N1)CN(C)C(=S)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C15H18N4O2S/c1-18(9-11-8-16-19(2)10-11)15(22)17-12-3-4-13-14(7-12)21-6-5-20-13/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,17,22)