4-(4-chlorophenyl)sulfanyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)butanamide

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)butanamide Openeye Name: 4-(4-chlorophenyl)sulfanyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)butanamide CAS Name: 4-[(4-chlorophenyl)thio]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)butanamide IUPAC Name: 4-(4-chlorophenyl)sulfanyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)butanamide Traditional Name: 4-[(4-chlorophenyl)thio]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)butyramide Formula: C25H24ClN3O3S2 MolecularWeight: 514.05936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCCSC4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCCSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H24ClN3O3S2/c1-31-20-12-13-21(32-2)24-23(20)28-25(34-24)29(16-18-6-3-4-14-27-18)22(30)7-5-15-33-19-10-8-17(26)9-11-19/h3-4,6,8-14H,5,7,15-16H2,1-2H3