2-(2-aminophenyl)sulfanyl-N-[3-[(2-chloranyl-4-nitro-phenyl)amino]propyl]ethanamide

Systemtic Name: 2-(2-aminophenyl)sulfanyl-N-[3-[(2-chloranyl-4-nitro-phenyl)amino]propyl]ethanamide Openeye Name: 2-(2-aminophenyl)sulfanyl-N-[3-(2-chloro-4-nitro-anilino)propyl]acetamide CAS Name: 2-[(2-aminophenyl)thio]-N-[3-(2-chloro-4-nitroanilino)propyl]acetamide IUPAC Name: 2-(2-aminophenyl)sulfanyl-N-[3-(2-chloro-4-nitroanilino)propyl]acetamide Traditional Name: 2-[(2-aminophenyl)thio]-N-[3-(2-chloro-4-nitro-anilino)propyl]acetamide Formula: C17H19ClN4O3S MolecularWeight: 394.87576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)SCC(=O)NCCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)N)SCC(=O)NCCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H19ClN4O3S/c18-13-10-12(22(24)25)6-7-15(13)20-8-3-9-21-17(23)11-26-16-5-2-1-4-14(16)19/h1-2,4-7,10,20H,3,8-9,11,19H2,(H,21,23)