1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-oxidanyl-1-phenyl-pyrazol-3-yl)carbonylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-oxidanyl-1-phenyl-pyrazol-3-yl)carbonylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-hydroxy-1-phenyl-pyrazole-3-carbonyl)amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(4-hydroxy-1-phenyl-3-pyrazolyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]thiourea Traditional Name: 1-[(4-hydroxy-1-phenyl-pyrazole-3-carbonyl)amino]-3-piperonyl-thiourea Formula: C19H17N5O4S MolecularWeight: 411.43438

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC(=O)C3=NN(C=C3O)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC(=O)C3=NN(C=C3O)C4=CC=CC=C4

InChI

InChI=1S/C19H17N5O4S/c25-14-10-24(13-4-2-1-3-5-13)23-17(14)18(26)21-22-19(29)20-9-12-6-7-15-16(8-12)28-11-27-15/h1-8,10,25H,9,11H2,(H,21,26)(H2,20,22,29)