1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(1-pyrazolylmethyl)phenyl]thiourea IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea Formula: C19H18N4O2S MolecularWeight: 366.43682

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=S)NC3=CC=CC(=C3)CN4C=CC=N4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=S)NC3=CC=CC(=C3)CN4C=CC=N4

InChI

InChI=1S/C19H18N4O2S/c26-19(22-16-5-6-17-18(12-16)25-10-9-24-17)21-15-4-1-3-14(11-15)13-23-8-2-7-20-23/h1-8,11-12H,9-10,13H2,(H2,21,22,26)