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

Systemtic Name: N-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-N-(pyridin-2-ylmethyl)butanamide Openeye Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-N-(2-pyridylmethyl)butanamide CAS Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(phenylthio)-N-(2-pyridinylmethyl)butanamide IUPAC Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-N-(pyridin-2-ylmethyl)butanamide Traditional Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(phenylthio)-N-(2-pyridylmethyl)butyramide Formula: C24H22ClN3OS2 MolecularWeight: 468.03398

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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=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H22ClN3OS2/c1-17-20(25)12-13-21-23(17)27-24(31-21)28(16-18-8-5-6-14-26-18)22(29)11-7-15-30-19-9-3-2-4-10-19/h2-6,8-10,12-14H,7,11,15-16H2,1H3