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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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