1-(1,3-benzodioxol-5-yl)-3-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[3,5-dimethyl-1-(1-naphthylmethyl)pyrazol-4-yl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[3,5-dimethyl-1-(1-naphthalenylmethyl)-4-pyrazolyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[3,5-dimethyl-1-(1-naphthylmethyl)pyrazol-4-yl]thiourea Formula: C24H22N4O2S MolecularWeight: 430.52208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC3=CC=CC=C32)C)NC(=S)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC3=CC=CC=C32)C)NC(=S)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H22N4O2S/c1-15-23(26-24(31)25-19-10-11-21-22(12-19)30-14-29-21)16(2)28(27-15)13-18-8-5-7-17-6-3-4-9-20(17)18/h3-12H,13-14H2,1-2H3,(H2,25,26,31)