N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-nitro-N-(2-thiophen-2-ylethyl)benzamide

Systemtic Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-nitro-N-(2-thiophen-2-ylethyl)benzamide Openeye Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-nitro-N-[2-(2-thienyl)ethyl]benzamide CAS Name: N-[6-(methylthio)-1,3-benzothiazol-2-yl]-2-nitro-N-(2-thiophen-2-ylethyl)benzamide IUPAC Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-nitro-N-(2-thiophen-2-ylethyl)benzamide Traditional Name: N-[6-(methylthio)-1,3-benzothiazol-2-yl]-2-nitro-N-[2-(2-thienyl)ethyl]benzamide Formula: C21H17N3O3S3 MolecularWeight: 455.57298

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(S2)N(CCC3=CC=CS3)C(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)N(CCC3=CC=CS3)C(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O3S3/c1-28-15-8-9-17-19(13-15)30-21(22-17)23(11-10-14-5-4-12-29-14)20(25)16-6-2-3-7-18(16)24(26)27/h2-9,12-13H,10-11H2,1H3