1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]thiourea

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]thiourea Traditional Name: 1-[4-(2,6-dimethylpiperidino)sulfonylphenyl]-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C25H31N5O3S2 MolecularWeight: 513.67534

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C

InChI

InChI=1S/C25H31N5O3S2/c1-17-9-8-10-18(2)30(17)35(32,33)22-15-13-20(14-16-22)26-25(34)27-23-19(3)28(4)29(24(23)31)21-11-6-5-7-12-21/h5-7,11-18H,8-10H2,1-4H3,(H2,26,27,34)