N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-(cyclopropylamino)-3-nitro-benzamide

Systemtic Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-(cyclopropylamino)-3-nitro-benzamide Openeye Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-(cyclopropylamino)-3-nitro-benzamide CAS Name: N-[2-[(4-chlorophenyl)methylthio]ethyl]-4-(cyclopropylamino)-3-nitrobenzamide IUPAC Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-(cyclopropylamino)-3-nitrobenzamide Traditional Name: N-[2-[(4-chlorobenzyl)thio]ethyl]-4-(cyclopropylamino)-3-nitro-benzamide Formula: C19H20ClN3O3S MolecularWeight: 405.8984

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)NCCSCC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)NCCSCC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H20ClN3O3S/c20-15-4-1-13(2-5-15)12-27-10-9-21-19(24)14-3-8-17(22-16-6-7-16)18(11-14)23(25)26/h1-5,8,11,16,22H,6-7,9-10,12H2,(H,21,24)