N-[4-chloranyl-5-(4-nitrophenyl)sulfanyl-2-(propanoylamino)phenyl]propanamide

Systemtic Name: N-[4-chloranyl-5-(4-nitrophenyl)sulfanyl-2-(propanoylamino)phenyl]propanamide Openeye Name: N-[4-chloro-5-(4-nitrophenyl)sulfanyl-2-(propanoylamino)phenyl]propanamide CAS Name: N-[4-chloro-5-[(4-nitrophenyl)thio]-2-(1-oxopropylamino)phenyl]propanamide IUPAC Name: N-[4-chloro-5-(4-nitrophenyl)sulfanyl-2-(propanoylamino)phenyl]propanamide Traditional Name: N-[4-chloro-5-[(4-nitrophenyl)thio]-2-propionamido-phenyl]propionamide Formula: C18H18ClN3O4S MolecularWeight: 407.87122

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1NC(=O)CC)Cl)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1NC(=O)CC)Cl)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O4S/c1-3-17(23)20-14-9-13(19)16(10-15(14)21-18(24)4-2)27-12-7-5-11(6-8-12)22(25)26/h5-10H,3-4H2,1-2H3,(H,20,23)(H,21,24)