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

Systemtic Name: 1-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(4,6-dimethylpyridin-2-yl)thiourea Openeye Name: 1-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]-3-(4,6-dimethyl-2-pyridyl)thiourea CAS Name: 1-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-3-(4,6-dimethyl-2-pyridinyl)thiourea IUPAC Name: 1-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(4,6-dimethylpyridin-2-yl)thiourea Traditional Name: 1-[4-(2,6-dimethylpiperidino)sulfonylphenyl]-3-(4,6-dimethyl-2-pyridyl)thiourea Formula: C21H28N4O2S2 MolecularWeight: 432.60262

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC(=CC(=N3)C)C)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC(=CC(=N3)C)C)C

InChI

InChI=1S/C21H28N4O2S2/c1-14-12-15(2)22-20(13-14)24-21(28)23-18-8-10-19(11-9-18)29(26,27)25-16(3)6-5-7-17(25)4/h8-13,16-17H,5-7H2,1-4H3,(H2,22,23,24,28)