3-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-[(2-nitrophenyl)amino]ethyl]propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-[(2-nitrophenyl)amino]ethyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(2-nitroanilino)ethyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-[2-(2-nitroanilino)ethyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(2-nitroanilino)ethyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-[2-(2-nitroanilino)ethyl]propionamide Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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