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

Systemtic Name: N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-4-(phenylmethylsulfanyl)butanamide Openeye Name: 4-benzylsulfanyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)butanamide CAS Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(phenylmethylthio)butanamide IUPAC Name: 4-benzylsulfanyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-(benzylthio)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)butyramide Formula: C19H19ClN2OS2 MolecularWeight: 390.94996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)SC(=N2)NC(=O)CCCSCC3=CC=CC=C3

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=N2)NC(=O)CCCSCC3=CC=CC=C3

InChI

InChI=1S/C19H19ClN2OS2/c1-13-9-10-15(20)18-17(13)22-19(25-18)21-16(23)8-5-11-24-12-14-6-3-2-4-7-14/h2-4,6-7,9-10H,5,8,11-12H2,1H3,(H,21,22,23)