N-(2-bromanyl-4-methyl-phenyl)-2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-benzamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-benzamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[2-(cyclohexylmethylamino)-2-oxo-ethyl]sulfanyl-benzamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[[2-(cyclohexylmethylamino)-2-oxoethyl]thio]benzamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[[2-(cyclohexylmethylamino)-2-keto-ethyl]thio]benzamide Formula: C23H27BrN2O2S MolecularWeight: 475.44168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)NCC3CCCCC3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)NCC3CCCCC3)Br

InChI

InChI=1S/C23H27BrN2O2S/c1-16-11-12-20(19(24)13-16)26-23(28)18-9-5-6-10-21(18)29-15-22(27)25-14-17-7-3-2-4-8-17/h5-6,9-13,17H,2-4,7-8,14-15H2,1H3,(H,25,27)(H,26,28)