N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(2-thiophen-2-ylethyl)benzamide

Systemtic Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(2-thiophen-2-ylethyl)benzamide Openeye Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3,5-dinitro-N-[2-(2-thienyl)ethyl]benzamide CAS Name: N-[4-(methylthio)-1,3-benzothiazol-2-yl]-3,5-dinitro-N-(2-thiophen-2-ylethyl)benzamide IUPAC Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(2-thiophen-2-ylethyl)benzamide Traditional Name: N-[4-(methylthio)-1,3-benzothiazol-2-yl]-3,5-dinitro-N-[2-(2-thienyl)ethyl]benzamide Formula: C21H16N4O5S3 MolecularWeight: 500.57054

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C1N=C(S2)N(CCC3=CC=CS3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC2=C1N=C(S2)N(CCC3=CC=CS3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O5S3/c1-31-17-5-2-6-18-19(17)22-21(33-18)23(8-7-16-4-3-9-32-16)20(26)13-10-14(24(27)28)12-15(11-13)25(29)30/h2-6,9-12H,7-8H2,1H3