1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-methoxy-5-sulfamoyl-phenyl)carbonylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-methoxy-5-sulfamoyl-phenyl)carbonylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-methoxy-5-sulfamoyl-benzoyl)amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(2-methoxy-5-sulfamoylphenyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-methoxy-5-sulfamoylbenzoyl)amino]thiourea Traditional Name: 1-[(2-methoxy-5-sulfamoyl-benzoyl)amino]-3-piperonyl-thiourea Formula: C17H18N4O6S2 MolecularWeight: 438.47802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NNC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NNC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H18N4O6S2/c1-25-13-5-3-11(29(18,23)24)7-12(13)16(22)20-21-17(28)19-8-10-2-4-14-15(6-10)27-9-26-14/h2-7H,8-9H2,1H3,(H,20,22)(H2,18,23,24)(H2,19,21,28)