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

Systemtic Name: 1-(4-bromanyl-3-chloranyl-phenyl)-3-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]thiourea Openeye Name: 1-(4-bromo-3-chloro-phenyl)-3-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]thiourea CAS Name: 1-(4-bromo-3-chlorophenyl)-3-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]thiourea IUPAC Name: 1-(4-bromo-3-chlorophenyl)-3-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]thiourea Traditional Name: 1-(4-bromo-3-chloro-phenyl)-3-[4-(2,6-dimethylpiperidino)sulfonylphenyl]thiourea Formula: C20H23BrClN3O2S2 MolecularWeight: 516.90252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrClN3O2S2/c1-13-4-3-5-14(2)25(13)29(26,27)17-9-6-15(7-10-17)23-20(28)24-16-8-11-18(21)19(22)12-16/h6-14H,3-5H2,1-2H3,(H2,23,24,28)