2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-[(2-chloranyl-4-nitro-phenyl)amino]propyl]ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-[(2-chloranyl-4-nitro-phenyl)amino]propyl]ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-(2-chloro-4-nitro-anilino)propyl]acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[3-(2-chloro-4-nitroanilino)propyl]acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-(2-chloro-4-nitroanilino)propyl]acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-[3-(2-chloro-4-nitro-anilino)propyl]acetamide Formula: C18H17ClN4O4S MolecularWeight: 420.86998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC(=O)NCCCNC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC(=O)NCCCNC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H17ClN4O4S/c19-13-10-12(23(25)26)6-7-14(13)20-8-3-9-21-17(24)11-28-18-22-15-4-1-2-5-16(15)27-18/h1-2,4-7,10,20H,3,8-9,11H2,(H,21,24)