2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-[6-bromanyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]ethanamide

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-[6-bromanyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]ethanamide Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide Formula: C20H26BrN3O3S2 MolecularWeight: 500.47274

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CSCC(=O)N3CCCCCC3

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CSCC(=O)N3CCCCCC3

InChI

InChI=1S/C20H26BrN3O3S2/c1-27-11-10-24-16-7-6-15(21)12-17(16)29-20(24)22-18(25)13-28-14-19(26)23-8-4-2-3-5-9-23/h6-7,12H,2-5,8-11,13-14H2,1H3