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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]ethanamide Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-N-[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-N-[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-N-[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide Formula: C23H33N3O4S2 MolecularWeight: 479.65582

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)OCC)SC1=NC(=O)CSCC(=O)N3CCCCCC3

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)OCC)SC1=NC(=O)CSCC(=O)N3CCCCCC3

InChI

InChI=1S/C23H33N3O4S2/c1-3-29-14-13-26-19-10-9-18(30-4-2)15-20(19)32-23(26)24-21(27)16-31-17-22(28)25-11-7-5-6-8-12-25/h9-10,15H,3-8,11-14,16-17H2,1-2H3