1-(3-chloranyl-2-methyl-phenyl)-3-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]phenyl]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]phenyl]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]thiourea Traditional Name: 1-(3-chloro-2-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=C(C(=CC=C3)Cl)C)C

Isomeric SMILES

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

InChI

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