2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

Systemtic Name: 2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide Openeye Name: 2-[2-(cyclooctylamino)-2-oxo-ethyl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide CAS Name: 2-[[2-(cyclooctylamino)-2-oxoethyl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide IUPAC Name: 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide Traditional Name: 2-[[2-(cyclooctylamino)-2-keto-ethyl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)CSC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCCC(CCC1)NC(=O)CSC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C25H30N2O4S/c28-24(26-18-8-4-2-1-3-5-9-18)17-32-23-11-7-6-10-20(23)25(29)27-19-12-13-21-22(16-19)31-15-14-30-21/h6-7,10-13,16,18H,1-5,8-9,14-15,17H2,(H,26,28)(H,27,29)