N-(3-bromanyl-4-chloranyl-phenyl)-2-cyclododecyl-5,5-dimethyl-1,3-thiazinane-3-carbothioamide

Systemtic Name: N-(3-bromanyl-4-chloranyl-phenyl)-2-cyclododecyl-5,5-dimethyl-1,3-thiazinane-3-carbothioamide Openeye Name: N-(3-bromo-4-chloro-phenyl)-2-cyclododecyl-5,5-dimethyl-1,3-thiazinane-3-carbothioamide CAS Name: N-(3-bromo-4-chlorophenyl)-2-cyclododecyl-5,5-dimethyl-1,3-thiazinane-3-carbothioamide IUPAC Name: N-(3-bromo-4-chlorophenyl)-2-cyclododecyl-5,5-dimethyl-1,3-thiazinane-3-carbothioamide Traditional Name: N-(3-bromo-4-chloro-phenyl)-2-cyclododecyl-5,5-dimethyl-1,3-thiazinane-3-carbothioamide Formula: C25H38BrClN2S2 MolecularWeight: 546.06962

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C(SC1)C2CCCCCCCCCCC2)C(=S)NC3=CC(=C(C=C3)Cl)Br)C

Isomeric SMILES

CC1(CN(C(SC1)C2CCCCCCCCCCC2)C(=S)NC3=CC(=C(C=C3)Cl)Br)C

InChI

InChI=1S/C25H38BrClN2S2/c1-25(2)17-29(24(30)28-20-14-15-22(27)21(26)16-20)23(31-18-25)19-12-10-8-6-4-3-5-7-9-11-13-19/h14-16,19,23H,3-13,17-18H2,1-2H3,(H,28,30)