1-(1,3-benzodioxol-5-ylmethyl)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea Traditional Name: 1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-piperonyl-thiourea Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20N4O3S/c1-13-18(19(25)24(23(13)2)15-6-4-3-5-7-15)22-20(28)21-11-14-8-9-16-17(10-14)27-12-26-16/h3-10H,11-12H2,1-2H3,(H2,21,22,28)