N-(6-methoxy-1,3-benzothiazol-2-yl)-2-quinolin-2-ylsulfanyl-butanamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-quinolin-2-ylsulfanyl-butanamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-quinolylsulfanyl)butanamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-quinolinylthio)butanamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-quinolin-2-ylsulfanylbutanamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-quinolylthio)butyramide Formula: C21H19N3O2S2 MolecularWeight: 409.52446

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OC)SC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OC)SC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H19N3O2S2/c1-3-17(27-19-11-8-13-6-4-5-7-15(13)22-19)20(25)24-21-23-16-10-9-14(26-2)12-18(16)28-21/h4-12,17H,3H2,1-2H3,(H,23,24,25)