1-(1,3-benzodioxol-5-yl)-3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[4-[(3,5-dimethyl-1-pyrazolyl)methyl]phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiourea Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O2S/c1-13-9-14(2)24(23-13)11-15-3-5-16(6-4-15)21-20(27)22-17-7-8-18-19(10-17)26-12-25-18/h3-10H,11-12H2,1-2H3,(H2,21,22,27)