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

Systemtic Name: N-[2-[(6-chloranyl-4-oxidanylidene-1H-quinolin-2-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]butanamide Openeye Name: N-[2-[(6-chloro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]butanamide CAS Name: N-[2-[(6-chloro-4-oxo-1H-quinolin-2-yl)methylthio]-1,3-benzothiazol-6-yl]butanamide IUPAC Name: N-[2-[(6-chloro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]butanamide Traditional Name: N-[2-[(6-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/c1-2-3-20(27)24-13-5-7-17-19(10-13)29-21(25-17)28-11-14-9-18(26)15-8-12(22)4-6-16(15)23-14/h4-10H,2-3,11H2,1H3,(H,23,26)(H,24,27)