N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-(4-methylphenyl)sulfanyl-butanamide

Systemtic Name: N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-(p-tolylsulfanyl)butanamide CAS Name: N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-[(4-methylphenyl)thio]butanamide IUPAC Name: N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-(p-tolylthio)butyramide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CCCSC3=CC=C(C=C3)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CCCSC3=CC=C(C=C3)C

InChI

InChI=1S/C20H21N3O3S2/c1-3-22-17-11-8-15(23(25)26)13-18(17)28-20(22)21-19(24)5-4-12-27-16-9-6-14(2)7-10-16/h6-11,13H,3-5,12H2,1-2H3