N-[2-[(6-chloranyl-4-oxidanylidene-1H-quinolin-2-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-ethyl-butanamide

Systemtic Name: N-[2-[(6-chloranyl-4-oxidanylidene-1H-quinolin-2-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-ethyl-butanamide Openeye Name: N-[2-[(6-chloro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-ethyl-butanamide CAS Name: N-[2-[(6-chloro-4-oxo-1H-quinolin-2-yl)methylthio]-1,3-benzothiazol-6-yl]-2-ethylbutanamide IUPAC Name: N-[2-[(6-chloro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-ethylbutanamide Traditional Name: N-[2-[(6-chloro-4-keto-1H-quinolin-2-yl)methylthio]-1,3-benzothiazol-6-yl]-2-ethyl-butyramide Formula: C23H22ClN3O2S2 MolecularWeight: 472.02268

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CC(=O)C4=C(N3)C=CC(=C4)Cl

Isomeric SMILES

CCC(CC)C(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CC(=O)C4=C(N3)C=CC(=C4)Cl

InChI

InChI=1S/C23H22ClN3O2S2/c1-3-13(4-2)22(29)26-15-6-8-19-21(11-15)31-23(27-19)30-12-16-10-20(28)17-9-14(24)5-7-18(17)25-16/h5-11,13H,3-4,12H2,1-2H3,(H,25,28)(H,26,29)