N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(4,5-dimethylthiazol-2-yl)-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]acetamide CAS Name: N-(4,5-dimethyl-2-thiazolyl)-2-[(5-nitro-1,3-benzoxazol-2-yl)thio]acetamide IUPAC Name: N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]acetamide Traditional Name: N-(4,5-dimethylthiazol-2-yl)-2-[(5-nitro-1,3-benzoxazol-2-yl)thio]acetamide Formula: C14H12N4O4S2 MolecularWeight: 364.39948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CSC2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CSC2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C14H12N4O4S2/c1-7-8(2)24-13(15-7)17-12(19)6-23-14-16-10-5-9(18(20)21)3-4-11(10)22-14/h3-5H,6H2,1-2H3,(H,15,17,19)