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

Systemtic Name: N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-(p-tolylsulfanyl)butanamide CAS Name: N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-[(4-methylphenyl)thio]butanamide IUPAC Name: N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-(p-tolylthio)butyramide Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H19N3O3S2/c1-13-5-8-15(9-6-13)26-11-3-4-18(23)20-19-21(2)16-10-7-14(22(24)25)12-17(16)27-19/h5-10,12H,3-4,11H2,1-2H3