1-(1,3-benzodioxol-5-yl)-3-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[4-[(6-methoxy-4-pyrimidinyl)sulfamoyl]phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]thiourea Formula: C19H17N5O5S2 MolecularWeight: 459.49878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=NC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H17N5O5S2/c1-27-18-9-17(20-10-21-18)24-31(25,26)14-5-2-12(3-6-14)22-19(30)23-13-4-7-15-16(8-13)29-11-28-15/h2-10H,11H2,1H3,(H,20,21,24)(H2,22,23,30)