N-(5-ethanoyl-4-phenyl-1,3-thiazol-2-yl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanamide

Systemtic Name: N-(5-ethanoyl-4-phenyl-1,3-thiazol-2-yl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanamide Openeye Name: N-(5-acetyl-4-phenyl-thiazol-2-yl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]acetamide CAS Name: N-(5-acetyl-4-phenyl-2-thiazolyl)-2-[(4-methoxy-3-nitrophenyl)methylthio]acetamide IUPAC Name: N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetamide Traditional Name: N-(5-acetyl-4-phenyl-thiazol-2-yl)-2-[(4-methoxy-3-nitro-benzyl)thio]acetamide Formula: C21H19N3O5S2 MolecularWeight: 457.52266

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N=C(S1)NC(=O)CSCC2=CC(=C(C=C2)OC)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=C(N=C(S1)NC(=O)CSCC2=CC(=C(C=C2)OC)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O5S2/c1-13(25)20-19(15-6-4-3-5-7-15)23-21(31-20)22-18(26)12-30-11-14-8-9-17(29-2)16(10-14)24(27)28/h3-10H,11-12H2,1-2H3,(H,22,23,26)