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

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(1,3-diphenylpyrazol-4-yl)methyl]thiourea Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(1,3-diphenylpyrazol-4-yl)methyl]thiourea CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(1,3-diphenyl-4-pyrazolyl)methyl]thiourea IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(1,3-diphenylpyrazol-4-yl)methyl]thiourea Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(1,3-diphenylpyrazol-4-yl)methyl]thiourea Formula: C25H22N4O2S MolecularWeight: 442.53278

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=S)NCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=S)NCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H22N4O2S/c32-25(27-20-11-12-22-23(15-20)31-14-13-30-22)26-16-19-17-29(21-9-5-2-6-10-21)28-24(19)18-7-3-1-4-8-18/h1-12,15,17H,13-14,16H2,(H2,26,27,32)