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

Systemtic Name: N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-phenylsulfanyl-butanamide Openeye Name: N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-phenylsulfanyl-butanamide CAS Name: N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-(phenylthio)butanamide IUPAC Name: N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-phenylsulfanylbutanamide Traditional Name: N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-(phenylthio)butyramide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O4S2/c1-27-12-11-22-17-10-9-15(23(25)26)14-18(17)29-20(22)21-19(24)8-5-13-28-16-6-3-2-4-7-16/h2-4,6-7,9-10,14H,5,8,11-13H2,1H3