N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)butanamide

Systemtic Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)butanamide Openeye Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-N-(2-pyridylmethyl)butanamide CAS Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)thio]-N-(2-pyridinylmethyl)butanamide IUPAC Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)butanamide Traditional Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)thio]-N-(2-pyridylmethyl)butyramide Formula: C26H27N3O2S2 MolecularWeight: 477.64148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)CCCSC4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)CCCSC4=CC=C(C=C4)OC)C

InChI

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