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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(C=N2)NC(=S)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(C=N2)NC(=S)NC3=CC4=C(C=C3)OCCO4

InChI

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