1-[3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]phenyl]-3-(4-ethanoylphenyl)thiourea

Systemtic Name: 1-[3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]phenyl]-3-(4-ethanoylphenyl)thiourea Openeye Name: 1-(4-acetylphenyl)-3-[3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)sulfamoyl]phenyl]thiourea CAS Name: 1-(4-acetylphenyl)-3-[3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)sulfamoyl]phenyl]thiourea IUPAC Name: 1-(4-acetylphenyl)-3-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]phenyl]thiourea Traditional Name: 1-(4-acetylphenyl)-3-[3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)sulfamoyl]phenyl]thiourea Formula: C26H25N5O4S2 MolecularWeight: 535.6378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)NC(=S)NC4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)NC(=S)NC4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C26H25N5O4S2/c1-17-24(25(33)31(30(17)3)22-9-5-4-6-10-22)29-37(34,35)23-11-7-8-21(16-23)28-26(36)27-20-14-12-19(13-15-20)18(2)32/h4-16,29H,1-3H3,(H2,27,28,36)