N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)butanamide

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)butanamide Openeye Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-N-(3-pyridylmethyl)butanamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)thio]-N-(3-pyridinylmethyl)butanamide IUPAC Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)butanamide Traditional Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)thio]-N-(3-pyridylmethyl)butyramide Formula: C26H27N3O2S2 MolecularWeight: 477.64148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CN=CC=C3)C(=O)CCCSC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CN=CC=C3)C(=O)CCCSC4=CC=C(C=C4)OC

InChI

InChI=1S/C26H27N3O2S2/c1-18-14-23-24(15-19(18)2)33-26(28-23)29(17-20-6-4-12-27-16-20)25(30)7-5-13-32-22-10-8-21(31-3)9-11-22/h4,6,8-12,14-16H,5,7,13,17H2,1-3H3