1-(1,3-benzodioxol-5-ylcarbonylamino)-3-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylcarbonylamino)-3-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]thiourea Openeye Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]thiourea CAS Name: 1-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-[1-[(4-chlorophenyl)methyl]-3-pyrazolyl]thiourea IUPAC Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]thiourea Traditional Name: 1-[1-(4-chlorobenzyl)pyrazol-3-yl]-3-(piperonyloylamino)thiourea Formula: C19H16ClN5O3S MolecularWeight: 429.88004

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NNC(=S)NC3=NN(C=C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NNC(=S)NC3=NN(C=C3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H16ClN5O3S/c20-14-4-1-12(2-5-14)10-25-8-7-17(24-25)21-19(29)23-22-18(26)13-3-6-15-16(9-13)28-11-27-15/h1-9H,10-11H2,(H,22,26)(H2,21,23,24,29)