N-[2-[(8-chloranyl-4-oxidanylidene-1H-quinolin-2-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]butanamide

Systemtic Name: N-[2-[(8-chloranyl-4-oxidanylidene-1H-quinolin-2-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]butanamide Openeye Name: N-[2-[(8-chloro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]butanamide CAS Name: N-[2-[(8-chloro-4-oxo-1H-quinolin-2-yl)methylthio]-1,3-benzothiazol-6-yl]butanamide IUPAC Name: N-[2-[(8-chloro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]butanamide Traditional Name: N-[2-[(8-chloro-4-keto-1H-quinolin-2-yl)methylthio]-1,3-benzothiazol-6-yl]butyramide Formula: C21H18ClN3O2S2 MolecularWeight: 443.96952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O2S2/c1-2-4-19(27)23-12-7-8-16-18(10-12)29-21(25-16)28-11-13-9-17(26)14-5-3-6-15(22)20(14)24-13/h3,5-10H,2,4,11H2,1H3,(H,23,27)(H,24,26)