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

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanyl-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[2-(cyclooctylamino)-2-oxo-ethyl]sulfanyl-benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[[2-(cyclooctylamino)-2-oxoethyl]thio]benzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylbenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[[2-(cyclooctylamino)-2-keto-ethyl]thio]benzamide Formula: C26H31N3O2S2 MolecularWeight: 481.67324

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)CSC2=CC=CC=C2C(=O)NCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCCC(CCC1)NC(=O)CSC2=CC=CC=C2C(=O)NCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C26H31N3O2S2/c30-24(28-19-10-4-2-1-3-5-11-19)18-32-22-14-8-6-12-20(22)26(31)27-17-16-25-29-21-13-7-9-15-23(21)33-25/h6-9,12-15,19H,1-5,10-11,16-18H2,(H,27,31)(H,28,30)