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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-[(2-chloranyl-4-nitro-phenyl)amino]ethyl]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(2-chloro-4-nitro-anilino)ethyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[2-(2-chloro-4-nitroanilino)ethyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(2-chloro-4-nitroanilino)ethyl]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-[2-(2-chloro-4-nitro-anilino)ethyl]acetamide Formula: C17H15ClN4O3S2 MolecularWeight: 422.909

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NCCNC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NCCNC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H15ClN4O3S2/c18-12-9-11(22(24)25)5-6-13(12)19-7-8-20-16(23)10-26-17-21-14-3-1-2-4-15(14)27-17/h1-6,9,19H,7-8,10H2,(H,20,23)