N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenylsulfanyl-N-(pyridin-2-ylmethyl)ethanamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenylsulfanyl-N-(pyridin-2-ylmethyl)ethanamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenylsulfanyl-N-(2-pyridylmethyl)acetamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-(phenylthio)-N-(2-pyridinylmethyl)acetamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenylsulfanyl-N-(pyridin-2-ylmethyl)acetamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-(phenylthio)-N-(2-pyridylmethyl)acetamide Formula: C21H16N4O3S2 MolecularWeight: 436.50674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=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/C21H16N4O3S2/c26-20(14-29-17-7-2-1-3-8-17)24(13-15-6-4-5-11-22-15)21-23-18-10-9-16(25(27)28)12-19(18)30-21/h1-12H,13-14H2