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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-[(2-chloranyl-4-nitro-phenyl)amino]propyl]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(2-chloro-4-nitro-anilino)propyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[3-(2-chloro-4-nitroanilino)propyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(2-chloro-4-nitroanilino)propyl]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-[3-(2-chloro-4-nitro-anilino)propyl]acetamide Formula: C18H17ClN4O3S2 MolecularWeight: 436.93558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NCCCNC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NCCCNC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H17ClN4O3S2/c19-13-10-12(23(25)26)6-7-14(13)20-8-3-9-21-17(24)11-27-18-22-15-4-1-2-5-16(15)28-18/h1-2,4-7,10,20H,3,8-9,11H2,(H,21,24)