N-(1,3-benzodioxol-5-ylmethyl)-4-(5-methoxy-2-oxidanyl-phenyl)carbonyl-pyrazole-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(5-methoxy-2-oxidanyl-phenyl)carbonyl-pyrazole-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-hydroxy-5-methoxy-benzoyl)pyrazole-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-hydroxy-5-methoxyphenyl)-oxomethyl]-1-pyrazolecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-hydroxy-5-methoxybenzoyl)pyrazole-1-carbothioamide Traditional Name: 4-(2-hydroxy-5-methoxy-benzoyl)-N-piperonyl-pyrazole-1-carbothioamide Formula: C20H17N3O5S MolecularWeight: 411.43108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)C(=O)C2=CN(N=C2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC(=C(C=C1)O)C(=O)C2=CN(N=C2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H17N3O5S/c1-26-14-3-4-16(24)15(7-14)19(25)13-9-22-23(10-13)20(29)21-8-12-2-5-17-18(6-12)28-11-27-17/h2-7,9-10,24H,8,11H2,1H3,(H,21,29)