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

Systemtic Name: N-(6-bromanyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-ethanamide Openeye Name: N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanyl-acetamide CAS Name: N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]acetamide IUPAC Name: N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylacetamide Traditional Name: N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]thio]acetamide Formula: C21H20BrN3O2S2 MolecularWeight: 490.4364

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CSCC(=O)N3CCCC4=CC=CC=C43

Isomeric SMILES

CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CSCC(=O)N3CCCC4=CC=CC=C43

InChI

InChI=1S/C21H20BrN3O2S2/c1-24-17-9-8-15(22)11-18(17)29-21(24)23-19(26)12-28-13-20(27)25-10-4-6-14-5-2-3-7-16(14)25/h2-3,5,7-9,11H,4,6,10,12-13H2,1H3