N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-4-nitro-N-(phenylmethyl)benzamide

Systemtic Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-4-nitro-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-4-nitro-benzamide CAS Name: N-[6-(methylthio)-1,3-benzothiazol-2-yl]-4-nitro-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide Traditional Name: N-benzyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-4-nitro-benzamide Formula: C22H17N3O3S2 MolecularWeight: 435.51868

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O3S2/c1-29-18-11-12-19-20(13-18)30-22(23-19)24(14-15-5-3-2-4-6-15)21(26)16-7-9-17(10-8-16)25(27)28/h2-13H,14H2,1H3