1-[4-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-3-phenyl-thiourea

Systemtic Name: 1-[4-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-3-phenyl-thiourea Openeye Name: 1-[4-[[(2R,6R)-2,6-dimethyl-1-piperidyl]sulfonyl]phenyl]-3-phenyl-thiourea CAS Name: 1-[4-[[(2R,6R)-2,6-dimethyl-1-piperidinyl]sulfonyl]phenyl]-3-phenylthiourea IUPAC Name: 1-[4-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-3-phenylthiourea Traditional Name: 1-[4-[(2R,6R)-2,6-dimethylpiperidino]sulfonylphenyl]-3-phenyl-thiourea Formula: C20H25N3O2S2 MolecularWeight: 403.5614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H]1CCC[C@H](N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3)C

InChI

InChI=1S/C20H25N3O2S2/c1-15-7-6-8-16(2)23(15)27(24,25)19-13-11-18(12-14-19)22-20(26)21-17-9-4-3-5-10-17/h3-5,9-16H,6-8H2,1-2H3,(H2,21,22,26)/t15-,16-/m1/s1