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

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]thiourea Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(p-tolylmethyl)pyrazol-3-yl]thiourea CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(4-methylphenyl)methyl]-3-pyrazolyl]thiourea IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]thiourea Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(4-methylbenzyl)pyrazol-3-yl]thiourea Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=CC(=N2)NC(=S)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=CC(=N2)NC(=S)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H20N4O2S/c1-14-2-4-15(5-3-14)13-24-9-8-19(23-24)22-20(27)21-16-6-7-17-18(12-16)26-11-10-25-17/h2-9,12H,10-11,13H2,1H3,(H2,21,22,23,27)