3-butoxy-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide

Systemtic Name: 3-butoxy-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide Openeye Name: 3-butoxy-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide CAS Name: 3-butoxy-N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]benzamide IUPAC Name: 3-butoxy-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide Traditional Name: 3-butoxy-N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]benzamide Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CCSC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CCSC

InChI

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