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

Systemtic Name: N-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-4-(phenylmethylsulfanyl)-N-(pyridin-3-ylmethyl)butanamide Openeye Name: 4-benzylsulfanyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)butanamide CAS Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(phenylmethylthio)-N-(3-pyridinylmethyl)butanamide IUPAC Name: 4-benzylsulfanyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide Traditional Name: 4-(benzylthio)-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-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=CN=CC=C3)C(=O)CCCSCC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)N(CC3=CN=CC=C3)C(=O)CCCSCC4=CC=CC=C4)Cl

InChI

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