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

Systemtic Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)butanamide Openeye Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-N-(2-pyridylmethyl)butanamide CAS Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)thio]-N-(2-pyridinylmethyl)butanamide IUPAC Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)butanamide Traditional Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)thio]-N-(2-pyridylmethyl)butyramide Formula: C25H25N3O3S2 MolecularWeight: 479.6143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=CC(=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)SCCCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=CC(=C4)OC

InChI

InChI=1S/C25H25N3O3S2/c1-30-19-8-11-21(12-9-19)32-15-5-7-24(29)28(17-18-6-3-4-14-26-18)25-27-22-16-20(31-2)10-13-23(22)33-25/h3-4,6,8-14,16H,5,7,15,17H2,1-2H3