N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-4-(phenylmethylsulfanyl)-N-(pyridin-3-ylmethyl)butanamide

Systemtic Name: N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-4-(phenylmethylsulfanyl)-N-(pyridin-3-ylmethyl)butanamide Openeye Name: 4-benzylsulfanyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)butanamide CAS Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(phenylmethylthio)-N-(3-pyridinylmethyl)butanamide IUPAC Name: 4-benzylsulfanyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide Traditional Name: 4-(benzylthio)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)butyramide Formula: C25H24ClN3O2S2 MolecularWeight: 498.05996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)Cl)SC(=N2)N(CC3=CN=CC=C3)C(=O)CCCSCC4=CC=CC=C4

Isomeric SMILES

COC1=C2C(=C(C=C1)Cl)SC(=N2)N(CC3=CN=CC=C3)C(=O)CCCSCC4=CC=CC=C4

InChI

InChI=1S/C25H24ClN3O2S2/c1-31-21-12-11-20(26)24-23(21)28-25(33-24)29(16-19-9-5-13-27-15-19)22(30)10-6-14-32-17-18-7-3-2-4-8-18/h2-5,7-9,11-13,15H,6,10,14,16-17H2,1H3