2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide

Systemtic Name: 2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide Openeye Name: 2-[2-(cyclooctylamino)-2-oxo-ethyl]sulfanyl-N-(4-methylthiazol-2-yl)benzamide CAS Name: 2-[[2-(cyclooctylamino)-2-oxoethyl]thio]-N-(4-methyl-2-thiazolyl)benzamide IUPAC Name: 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide Traditional Name: 2-[[2-(cyclooctylamino)-2-keto-ethyl]thio]-N-(4-methylthiazol-2-yl)benzamide Formula: C21H27N3O2S2 MolecularWeight: 417.58798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)C2=CC=CC=C2SCC(=O)NC3CCCCCCC3

Isomeric SMILES

CC1=CSC(=N1)NC(=O)C2=CC=CC=C2SCC(=O)NC3CCCCCCC3

InChI

InChI=1S/C21H27N3O2S2/c1-15-13-28-21(22-15)24-20(26)17-11-7-8-12-18(17)27-14-19(25)23-16-9-5-3-2-4-6-10-16/h7-8,11-13,16H,2-6,9-10,14H2,1H3,(H,23,25)(H,22,24,26)