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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]ethanamide Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]acetamide CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]acetamide IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]acetamide Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]acetamide Formula: C22H31N3O4S2 MolecularWeight: 465.62924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O4S2/c1-3-29-13-12-25-18-9-8-17(28-2)14-19(18)31-22(25)23-20(26)15-30-16-21(27)24-10-6-4-5-7-11-24/h8-9,14H,3-7,10-13,15-16H2,1-2H3