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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-pyrazolyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(1-m-anisyl-3,5-dimethyl-pyrazol-4-yl)thiourea Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC(=CC=C2)OC)C)NC(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC(=CC=C2)OC)C)NC(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N4O3S/c1-13-20(14(2)25(24-13)11-15-5-4-6-17(9-15)26-3)23-21(29)22-16-7-8-18-19(10-16)28-12-27-18/h4-10H,11-12H2,1-3H3,(H2,22,23,29)