2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)ethanamide

Systemtic Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanyl-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)acetamide CAS Name: 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]thio]-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)acetamide Formula: C22H22N4O4S2 MolecularWeight: 470.56448

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CSCC(=O)N3CCCC4=CC=CC=C43

Isomeric SMILES

CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CSCC(=O)N3CCCC4=CC=CC=C43

InChI

InChI=1S/C22H22N4O4S2/c1-2-24-18-10-9-16(26(29)30)12-19(18)32-22(24)23-20(27)13-31-14-21(28)25-11-5-7-15-6-3-4-8-17(15)25/h3-4,6,8-10,12H,2,5,7,11,13-14H2,1H3