2-(4-acetamidophenyl)sulfanyl-N-[(4-nitrophenyl)carbamoyl]propanamide

Systemtic Name: 2-(4-acetamidophenyl)sulfanyl-N-[(4-nitrophenyl)carbamoyl]propanamide Openeye Name: 2-(4-acetamidophenyl)sulfanyl-N-[(4-nitrophenyl)carbamoyl]propanamide CAS Name: 2-[(4-acetamidophenyl)thio]-N-[(4-nitroanilino)-oxomethyl]propanamide IUPAC Name: 2-(4-acetamidophenyl)sulfanyl-N-[(4-nitrophenyl)carbamoyl]propanamide Traditional Name: 2-[(4-acetamidophenyl)thio]-N-[(4-nitrophenyl)carbamoyl]propionamide Formula: C18H18N4O5S MolecularWeight: 402.42432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC(C(=O)NC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C18H18N4O5S/c1-11(28-16-9-5-13(6-10-16)19-12(2)23)17(24)21-18(25)20-14-3-7-15(8-4-14)22(26)27/h3-11H,1-2H3,(H,19,23)(H2,20,21,24,25)