4-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-chloro-2-methoxy-5-methyl-phenyl)butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-(4-chloro-2-methoxy-5-methylphenyl)butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-chloro-2-methoxy-5-methylphenyl)butanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-(4-chloro-2-methoxy-5-methyl-phenyl)butyramide Formula: C19H19ClN2O2S2 MolecularWeight: 406.94936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H19ClN2O2S2/c1-12-10-15(16(24-2)11-13(12)20)21-18(23)8-5-9-25-19-22-14-6-3-4-7-17(14)26-19/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,21,23)