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

Systemtic Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-nitro-N-(2-thiophen-2-ylethyl)benzamide Openeye Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-nitro-N-[2-(2-thienyl)ethyl]benzamide CAS Name: N-[4-(methylthio)-1,3-benzothiazol-2-yl]-4-nitro-N-(2-thiophen-2-ylethyl)benzamide IUPAC Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-nitro-N-(2-thiophen-2-ylethyl)benzamide Traditional Name: N-[4-(methylthio)-1,3-benzothiazol-2-yl]-4-nitro-N-[2-(2-thienyl)ethyl]benzamide Formula: C21H17N3O3S3 MolecularWeight: 455.57298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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