1-(1,3-benzodioxol-5-yl)-3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[3,5-dimethyl-1-(o-tolylmethyl)pyrazol-4-yl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-pyrazolyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[3,5-dimethyl-1-(2-methylbenzyl)pyrazol-4-yl]thiourea Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=S)NC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=S)NC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C21H22N4O2S/c1-13-6-4-5-7-16(13)11-25-15(3)20(14(2)24-25)23-21(28)22-17-8-9-18-19(10-17)27-12-26-18/h4-10H,11-12H2,1-3H3,(H2,22,23,28)