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

Systemtic Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfanyl-butanamide Openeye Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfanyl-butanamide CAS Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-[(4-methoxyphenyl)thio]butanamide IUPAC Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfanylbutanamide Traditional Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-[(4-methoxyphenyl)thio]butyramide Formula: C22H25N3O5S2 MolecularWeight: 475.581

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CCCSC3=CC=C(C=C3)OC

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CCCSC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H25N3O5S2/c1-3-30-13-12-24-19-11-6-16(25(27)28)15-20(19)32-22(24)23-21(26)5-4-14-31-18-9-7-17(29-2)8-10-18/h6-11,15H,3-5,12-14H2,1-2H3