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

Systemtic Name: 4-(4-methoxyphenyl)sulfanyl-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]butanamide Openeye Name: 4-(4-methoxyphenyl)sulfanyl-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]butanamide CAS Name: 4-[(4-methoxyphenyl)thio]-N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]butanamide IUPAC Name: 4-(4-methoxyphenyl)sulfanyl-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]butanamide Traditional Name: 4-[(4-methoxyphenyl)thio]-N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]butyramide Formula: C21H23N3O4S3 MolecularWeight: 477.62002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CCSC

Isomeric SMILES

COC1=CC=C(C=C1)SCCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CCSC

InChI

InChI=1S/C21H23N3O4S3/c1-28-16-6-8-17(9-7-16)30-12-3-4-20(25)22-21-23(11-13-29-2)18-10-5-15(24(26)27)14-19(18)31-21/h5-10,14H,3-4,11-13H2,1-2H3