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

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

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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=C4Cl

Isomeric SMILES

COC1=CC=C(C=C1)SCCCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=CC=C4Cl

InChI

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