N-(1-naphthalen-2-ylethyl)-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(1-naphthalen-2-ylethyl)-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]ethanamide Openeye Name: N-[1-(2-naphthyl)ethyl]-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]acetamide CAS Name: N-[1-(2-naphthalenyl)ethyl]-2-[(5-nitro-1,3-benzoxazol-2-yl)thio]acetamide IUPAC Name: N-(1-naphthalen-2-ylethyl)-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]acetamide Traditional Name: N-[1-(2-naphthyl)ethyl]-2-[(5-nitro-1,3-benzoxazol-2-yl)thio]acetamide Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2C=C1)NC(=O)CSC3=NC4=C(O3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC2=CC=CC=C2C=C1)NC(=O)CSC3=NC4=C(O3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O4S/c1-13(15-7-6-14-4-2-3-5-16(14)10-15)22-20(25)12-29-21-23-18-11-17(24(26)27)8-9-19(18)28-21/h2-11,13H,12H2,1H3,(H,22,25)