4-(4-methoxyphenyl)sulfanyl-N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)butanamide

Systemtic Name: 4-(4-methoxyphenyl)sulfanyl-N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)butanamide Openeye Name: 4-(4-methoxyphenyl)sulfanyl-N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)butanamide CAS Name: 4-[(4-methoxyphenyl)thio]-N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-(4-methoxyphenyl)sulfanyl-N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-[(4-methoxyphenyl)thio]-N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)butyramide Formula: C19H19N3O4S2 MolecularWeight: 417.50186

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CCCSC3=CC=C(C=C3)OC

Isomeric SMILES

CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CCCSC3=CC=C(C=C3)OC

InChI

InChI=1S/C19H19N3O4S2/c1-21-16-12-13(22(24)25)5-10-17(16)28-19(21)20-18(23)4-3-11-27-15-8-6-14(26-2)7-9-15/h5-10,12H,3-4,11H2,1-2H3