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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCCSC4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCCSC4=CC=C(C=C4)Cl)C

InChI

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