2-(4-methylphenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)ethanamide

Systemtic Name: 2-(4-methylphenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)ethanamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-(p-tolylsulfanyl)-N-(2-pyridylmethyl)acetamide CAS Name: 2-[(4-methylphenyl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)acetamide IUPAC Name: 2-(4-methylphenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-(p-tolylthio)-N-(2-pyridylmethyl)acetamide Formula: C22H18N4O3S2 MolecularWeight: 450.53332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O3S2/c1-15-5-8-18(9-6-15)30-14-21(27)25(13-16-4-2-3-11-23-16)22-24-19-10-7-17(26(28)29)12-20(19)31-22/h2-12H,13-14H2,1H3