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

Systemtic Name: N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-(p-tolylsulfanyl)butanamide CAS Name: N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-[(4-methylphenyl)thio]butanamide IUPAC Name: N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-(p-tolylthio)butyramide Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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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-])CCOC

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S2/c1-15-5-8-17(9-6-15)29-13-3-4-20(25)22-21-23(11-12-28-2)18-10-7-16(24(26)27)14-19(18)30-21/h5-10,14H,3-4,11-13H2,1-2H3