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

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[4-(2,6-dimethylpiperidino)sulfonylphenyl]thiourea Formula: C21H26ClN3O2S2 MolecularWeight: 452.03304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O2S2/c1-14-6-4-7-15(2)25(14)29(26,27)18-12-10-17(11-13-18)23-21(28)24-20-9-5-8-19(22)16(20)3/h5,8-15H,4,6-7H2,1-3H3,(H2,23,24,28)