N-(3-acetamido-2-methyl-phenyl)-2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanyl-benzamide

Systemtic Name: N-(3-acetamido-2-methyl-phenyl)-2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanyl-benzamide Openeye Name: N-(3-acetamido-2-methyl-phenyl)-2-[2-(cyclooctylamino)-2-oxo-ethyl]sulfanyl-benzamide CAS Name: N-(3-acetamido-2-methylphenyl)-2-[[2-(cyclooctylamino)-2-oxoethyl]thio]benzamide IUPAC Name: N-(3-acetamido-2-methylphenyl)-2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylbenzamide Traditional Name: N-(3-acetamido-2-methyl-phenyl)-2-[[2-(cyclooctylamino)-2-keto-ethyl]thio]benzamide Formula: C26H33N3O3S MolecularWeight: 467.62352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C)NC(=O)C2=CC=CC=C2SCC(=O)NC3CCCCCCC3

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C)NC(=O)C2=CC=CC=C2SCC(=O)NC3CCCCCCC3

InChI

InChI=1S/C26H33N3O3S/c1-18-22(27-19(2)30)14-10-15-23(18)29-26(32)21-13-8-9-16-24(21)33-17-25(31)28-20-11-6-4-3-5-7-12-20/h8-10,13-16,20H,3-7,11-12,17H2,1-2H3,(H,27,30)(H,28,31)(H,29,32)