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

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-phenyl]thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-phenyl]thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea Traditional Name: 1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-[4-methyl-2-(p-phenetylsulfamoyl)phenyl]thiourea Formula: C27H29N5O4S2 MolecularWeight: 551.68026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C)NC(=S)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C)NC(=S)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C27H29N5O4S2/c1-5-36-22-14-12-20(13-15-22)30-38(34,35)24-17-18(2)11-16-23(24)28-27(37)29-25-19(3)31(4)32(26(25)33)21-9-7-6-8-10-21/h6-17,30H,5H2,1-4H3,(H2,28,29,37)