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

Systemtic Name: N-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)butanamide Openeye Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-N-(2-pyridylmethyl)butanamide CAS Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)thio]-N-(2-pyridinylmethyl)butanamide IUPAC Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)butanamide Traditional Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)thio]-N-(2-pyridylmethyl)butyramide Formula: C25H24ClN3O2S2 MolecularWeight: 498.05996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)N(CC3=CC=CC=N3)C(=O)CCCSC4=CC=C(C=C4)OC)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)N(CC3=CC=CC=N3)C(=O)CCCSC4=CC=C(C=C4)OC)Cl

InChI

InChI=1S/C25H24ClN3O2S2/c1-17-21(26)12-13-22-24(17)28-25(33-22)29(16-18-6-3-4-14-27-18)23(30)7-5-15-32-20-10-8-19(31-2)9-11-20/h3-4,6,8-14H,5,7,15-16H2,1-2H3