N-[2-[(2-azanyl-5-chloranyl-phenyl)-(2-chlorophenyl)methyl]sulfanylethyl]-4-nitro-benzamide

Systemtic Name: N-[2-[(2-azanyl-5-chloranyl-phenyl)-(2-chlorophenyl)methyl]sulfanylethyl]-4-nitro-benzamide Openeye Name: N-[2-[(2-amino-5-chloro-phenyl)-(2-chlorophenyl)methyl]sulfanylethyl]-4-nitro-benzamide CAS Name: N-[2-[[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]thio]ethyl]-4-nitrobenzamide IUPAC Name: N-[2-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]sulfanylethyl]-4-nitrobenzamide Traditional Name: N-[2-[[(2-amino-5-chloro-phenyl)-(2-chlorophenyl)methyl]thio]ethyl]-4-nitro-benzamide Formula: C22H19Cl2N3O3S MolecularWeight: 476.37556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(C2=C(C=CC(=C2)Cl)N)SCCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(C2=C(C=CC(=C2)Cl)N)SCCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H19Cl2N3O3S/c23-15-7-10-20(25)18(13-15)21(17-3-1-2-4-19(17)24)31-12-11-26-22(28)14-5-8-16(9-6-14)27(29)30/h1-10,13,21H,11-12,25H2,(H,26,28)