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

Systemtic Name: 1-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(4-methyl-2-oxidanyl-phenyl)thiourea Openeye Name: 1-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]-3-(2-hydroxy-4-methyl-phenyl)thiourea CAS Name: 1-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-3-(2-hydroxy-4-methylphenyl)thiourea IUPAC Name: 1-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(2-hydroxy-4-methylphenyl)thiourea Traditional Name: 1-[4-(2,6-dimethylpiperidino)sulfonylphenyl]-3-(2-hydroxy-4-methyl-phenyl)thiourea Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S2/c1-14-7-12-19(20(25)13-14)23-21(28)22-17-8-10-18(11-9-17)29(26,27)24-15(2)5-4-6-16(24)3/h7-13,15-16,25H,4-6H2,1-3H3,(H2,22,23,28)