2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[2-[(4-nitrophenyl)amino]ethyl]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[2-[(4-nitrophenyl)amino]ethyl]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[2-(4-nitroanilino)ethyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-[2-(4-nitroanilino)ethyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[2-(4-nitroanilino)ethyl]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-[2-(4-nitroanilino)ethyl]acetamide Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O3S2/c23-17(11-26-12-18-21-15-3-1-2-4-16(15)27-18)20-10-9-19-13-5-7-14(8-6-13)22(24)25/h1-8,19H,9-12H2,(H,20,23)