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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(1-phenylpyrazol-4-yl)methyleneamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(1-phenyl-4-pyrazolyl)methylideneamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]thiourea Traditional Name: 1-[(Z)-(1-phenylpyrazol-4-yl)methyleneamino]-3-piperonyl-thiourea Formula: C19H17N5O2S MolecularWeight: 379.43558

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NN=CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)N/N=C\C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C19H17N5O2S/c27-19(20-9-14-6-7-17-18(8-14)26-13-25-17)23-21-10-15-11-22-24(12-15)16-4-2-1-3-5-16/h1-8,10-12H,9,13H2,(H2,20,23,27)/b21-10-