N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-4-(phenylmethylsulfanyl)butanamide

Systemtic Name: N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-4-(phenylmethylsulfanyl)butanamide Openeye Name: 4-benzylsulfanyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)butanamide CAS Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(phenylmethylthio)butanamide IUPAC Name: 4-benzylsulfanyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-(benzylthio)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)butyramide Formula: C19H19ClN2O2S2 MolecularWeight: 406.94936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)Cl)SC(=N2)NC(=O)CCCSCC3=CC=CC=C3

Isomeric SMILES

COC1=C2C(=C(C=C1)Cl)SC(=N2)NC(=O)CCCSCC3=CC=CC=C3

InChI

InChI=1S/C19H19ClN2O2S2/c1-24-15-10-9-14(20)18-17(15)22-19(26-18)21-16(23)8-5-11-25-12-13-6-3-2-4-7-13/h2-4,6-7,9-10H,5,8,11-12H2,1H3,(H,21,22,23)