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

Systemtic Name: 1-[3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]phenyl]-3-phenethyl-thiourea Openeye Name: 1-[3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)sulfamoyl]phenyl]-3-phenethyl-thiourea CAS Name: 1-[3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)sulfamoyl]phenyl]-3-phenethylthiourea IUPAC Name: 1-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]phenyl]-3-phenethylthiourea Traditional Name: 1-[3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)sulfamoyl]phenyl]-3-phenethyl-thiourea Formula: C26H27N5O3S2 MolecularWeight: 521.65428

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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)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)NC(=S)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H27N5O3S2/c1-19-24(25(32)31(30(19)2)22-13-7-4-8-14-22)29-36(33,34)23-15-9-12-21(18-23)28-26(35)27-17-16-20-10-5-3-6-11-20/h3-15,18,29H,16-17H2,1-2H3,(H2,27,28,35)