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

Systemtic Name: N-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-4-(phenylmethylsulfanyl)-N-(pyridin-2-ylmethyl)butanamide Openeye Name: 4-benzylsulfanyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)butanamide CAS Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(phenylmethylthio)-N-(2-pyridinylmethyl)butanamide IUPAC Name: 4-benzylsulfanyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)butanamide Traditional Name: 4-(benzylthio)-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)butyramide Formula: C25H24ClN3OS2 MolecularWeight: 482.06056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)N(CC3=CC=CC=N3)C(=O)CCCSCC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)N(CC3=CC=CC=N3)C(=O)CCCSCC4=CC=CC=C4)Cl

InChI

InChI=1S/C25H24ClN3OS2/c1-18-21(26)12-13-22-24(18)28-25(32-22)29(16-20-10-5-6-14-27-20)23(30)11-7-15-31-17-19-8-3-2-4-9-19/h2-6,8-10,12-14H,7,11,15-17H2,1H3