1-(3-chloranyl-4-methyl-phenyl)-3-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]thiourea

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]thiourea Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]phenyl]thiourea CAS Name: 1-(3-chloro-4-methylphenyl)-3-[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]phenyl]thiourea IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]thiourea Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-[4-(3,5-dimethylpiperidino)sulfonylphenyl]thiourea Formula: C21H26ClN3O2S2 MolecularWeight: 452.03304

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC(=C(C=C3)C)Cl)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC(=C(C=C3)C)Cl)C

InChI

InChI=1S/C21H26ClN3O2S2/c1-14-10-15(2)13-25(12-14)29(26,27)19-8-6-17(7-9-19)23-21(28)24-18-5-4-16(3)20(22)11-18/h4-9,11,14-15H,10,12-13H2,1-3H3,(H2,23,24,28)