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

Systemtic Name: N-[2-[(6-chloranyl-4-oxidanylidene-1H-quinolin-2-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]propanamide Openeye Name: N-[2-[(6-chloro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]propanamide CAS Name: N-[2-[(6-chloro-4-oxo-1H-quinolin-2-yl)methylthio]-1,3-benzothiazol-6-yl]propanamide IUPAC Name: N-[2-[(6-chloro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]propanamide Traditional Name: N-[2-[(6-chloro-4-keto-1H-quinolin-2-yl)methylthio]-1,3-benzothiazol-6-yl]propionamide Formula: C20H16ClN3O2S2 MolecularWeight: 429.94294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN3O2S2/c1-2-19(26)23-12-4-6-16-18(9-12)28-20(24-16)27-10-13-8-17(25)14-7-11(21)3-5-15(14)22-13/h3-9H,2,10H2,1H3,(H,22,25)(H,23,26)