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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)N3CCCCCC3)S2)CCOC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)N3CCCCCC3)S2)CCOC

InChI

InChI=1S/C22H31N3O4S2/c1-3-29-17-8-9-18-19(14-17)31-22(25(18)12-13-28-2)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