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

Systemtic Name: 1-[5-(diethylsulfamoyl)-2-piperidin-1-yl-phenyl]-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea Openeye Name: 1-[5-(diethylsulfamoyl)-2-(1-piperidyl)phenyl]-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea CAS Name: 1-[5-(diethylsulfamoyl)-2-(1-piperidinyl)phenyl]-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)thiourea IUPAC Name: 1-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea Traditional Name: 1-[5-(diethylsulfamoyl)-2-piperidino-phenyl]-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C27H36N6O3S2 MolecularWeight: 556.74314

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCCC2)NC(=S)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCCC2)NC(=S)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C27H36N6O3S2/c1-5-32(6-2)38(35,36)22-15-16-24(31-17-11-8-12-18-31)23(19-22)28-27(37)29-25-20(3)30(4)33(26(25)34)21-13-9-7-10-14-21/h7,9-10,13-16,19H,5-6,8,11-12,17-18H2,1-4H3,(H2,28,29,37)