N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-2-(4-propan-2-ylphenyl)ethanamide

Systemtic Name: N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-2-(4-propan-2-ylphenyl)ethanamide Openeye Name: 2-(4-isopropylphenyl)-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]acetamide CAS Name: N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]-2-(4-propan-2-ylphenyl)acetamide IUPAC Name: N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-2-(4-propan-2-ylphenyl)acetamide Traditional Name: N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]-2-p-cumenyl-acetamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S2/c1-14(2)16-6-4-15(5-7-16)12-20(25)22-21-23(10-11-28-3)18-9-8-17(24(26)27)13-19(18)29-21/h4-9,13-14H,10-12H2,1-3H3