N-[2-[(2-chloranyl-6-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]propanamide

Systemtic Name: N-[2-[(2-chloranyl-6-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]propanamide Openeye Name: N-[2-[(2-chloro-6-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]propanamide CAS Name: N-[2-[(2-chloro-6-nitrophenyl)methylthio]-1,3-benzothiazol-6-yl]propanamide IUPAC Name: N-[2-[(2-chloro-6-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]propanamide Traditional Name: N-[2-[(2-chloro-6-nitro-benzyl)thio]-1,3-benzothiazol-6-yl]propionamide Formula: C17H14ClN3O3S2 MolecularWeight: 407.89436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=C(C=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=C(C=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H14ClN3O3S2/c1-2-16(22)19-10-6-7-13-15(8-10)26-17(20-13)25-9-11-12(18)4-3-5-14(11)21(23)24/h3-8H,2,9H2,1H3,(H,19,22)