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

Systemtic Name: N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanamide Openeye Name: N-(4-tert-butylthiazol-2-yl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]acetamide CAS Name: N-(4-tert-butyl-2-thiazolyl)-2-[(4-methoxy-3-nitrophenyl)methylthio]acetamide IUPAC Name: N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetamide Traditional Name: N-(4-tert-butylthiazol-2-yl)-2-[(4-methoxy-3-nitro-benzyl)thio]acetamide Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)NC(=O)CSCC2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)NC(=O)CSCC2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O4S2/c1-17(2,3)14-9-26-16(18-14)19-15(21)10-25-8-11-5-6-13(24-4)12(7-11)20(22)23/h5-7,9H,8,10H2,1-4H3,(H,18,19,21)