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

Systemtic Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide Openeye Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide CAS Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-(phenylthio)butanamide IUPAC Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-phenylsulfanylbutanamide Traditional Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-(phenylthio)butyramide Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C18H17N3O4S2/c1-25-14-10-12(21(23)24)11-15-17(14)20-18(27-15)19-16(22)8-5-9-26-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,19,20,22)