4-(4-chlorophenyl)sulfanyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide Openeye Name: 4-(4-chlorophenyl)sulfanyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)butanamide CAS Name: 4-[(4-chlorophenyl)thio]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-pyridinylmethyl)butanamide IUPAC Name: 4-(4-chlorophenyl)sulfanyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide Traditional Name: 4-[(4-chlorophenyl)thio]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)butyramide Formula: C25H24ClN3OS2 MolecularWeight: 482.06056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CN=CC=C3)C(=O)CCCSC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CN=CC=C3)C(=O)CCCSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H24ClN3OS2/c1-17-13-22-23(14-18(17)2)32-25(28-22)29(16-19-5-3-11-27-15-19)24(30)6-4-12-31-21-9-7-20(26)8-10-21/h3,5,7-11,13-15H,4,6,12,16H2,1-2H3