1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylideneamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylideneamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyleneamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylideneamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]thiourea Traditional Name: 1-[(Z)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyleneamino]-3-piperonyl-thiourea Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=NNC(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=N\NC(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N5O2S/c1-14-18(15(2)26(25-14)17-6-4-3-5-7-17)12-23-24-21(29)22-11-16-8-9-19-20(10-16)28-13-27-19/h3-10,12H,11,13H2,1-2H3,(H2,22,24,29)/b23-12-