N-(6-methoxy-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-N-(pyridin-2-ylmethyl)butanamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-N-(pyridin-2-ylmethyl)butanamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-N-(2-pyridylmethyl)butanamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(phenylthio)-N-(2-pyridinylmethyl)butanamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-N-(pyridin-2-ylmethyl)butanamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(phenylthio)-N-(2-pyridylmethyl)butyramide Formula: C24H23N3O2S2 MolecularWeight: 449.58832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)CCCSC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)CCCSC4=CC=CC=C4

InChI

InChI=1S/C24H23N3O2S2/c1-29-19-12-13-21-22(16-19)31-24(26-21)27(17-18-8-5-6-14-25-18)23(28)11-7-15-30-20-9-3-2-4-10-20/h2-6,8-10,12-14,16H,7,11,15,17H2,1H3