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

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(1-naphthylmethyl)pyrazol-4-yl]thiourea CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(1-naphthalenylmethyl)-4-pyrazolyl]thiourea IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(1-naphthylmethyl)pyrazol-4-yl]thiourea Formula: C23H20N4O2S MolecularWeight: 416.4955

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=S)NC3=CN(N=C3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=S)NC3=CN(N=C3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C23H20N4O2S/c30-23(25-18-8-9-21-22(12-18)29-11-10-28-21)26-19-13-24-27(15-19)14-17-6-3-5-16-4-1-2-7-20(16)17/h1-9,12-13,15H,10-11,14H2,(H2,25,26,30)