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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]ethanamide Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]acetamide CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]acetamide IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]acetamide Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]acetamide Formula: C21H28N4O5S2 MolecularWeight: 480.60082

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CSCC(=O)N3CCCCCC3

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CSCC(=O)N3CCCCCC3

InChI

InChI=1S/C21H28N4O5S2/c1-2-30-12-11-24-17-8-7-16(25(28)29)13-18(17)32-21(24)22-19(26)14-31-15-20(27)23-9-5-3-4-6-10-23/h7-8,13H,2-6,9-12,14-15H2,1H3