2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-[(4-nitrophenyl)amino]ethyl]ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-[(4-nitrophenyl)amino]ethyl]ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-nitroanilino)ethyl]acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[2-(4-nitroanilino)ethyl]acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-nitroanilino)ethyl]acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-[2-(4-nitroanilino)ethyl]acetamide Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O4S/c22-16(11-26-17-20-14-3-1-2-4-15(14)25-17)19-10-9-18-12-5-7-13(8-6-12)21(23)24/h1-8,18H,9-11H2,(H,19,22)