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

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)butanamide Openeye Name: 4-(4-chlorophenyl)sulfanyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)butanamide CAS Name: 4-[(4-chlorophenyl)thio]-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)butanamide IUPAC Name: 4-(4-chlorophenyl)sulfanyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)butanamide Traditional Name: 4-[(4-chlorophenyl)thio]-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)butyramide Formula: C24H22ClN3O2S2 MolecularWeight: 484.03338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCCSC4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCCSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H22ClN3O2S2/c1-30-19-9-12-22-21(15-19)27-24(32-22)28(16-18-5-2-3-13-26-18)23(29)6-4-14-31-20-10-7-17(25)8-11-20/h2-3,5,7-13,15H,4,6,14,16H2,1H3