1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(4-morpholinosulfonylphenyl)thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[4-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-(4-morpholinosulfonylphenyl)thiourea Formula: C22H25N5O4S2 MolecularWeight: 487.595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H25N5O4S2/c1-16-20(21(28)27(25(16)2)18-6-4-3-5-7-18)24-22(32)23-17-8-10-19(11-9-17)33(29,30)26-12-14-31-15-13-26/h3-11H,12-15H2,1-2H3,(H2,23,24,32)