(2R)-N-(3-chlorophenyl)-2-[(4-nitrophenyl)carbamothioyl-propyl-amino]propanamide

Systemtic Name: (2R)-N-(3-chlorophenyl)-2-[(4-nitrophenyl)carbamothioyl-propyl-amino]propanamide Openeye Name: (2R)-N-(3-chlorophenyl)-2-[(4-nitrophenyl)carbamothioyl-propyl-amino]propanamide CAS Name: (2R)-N-(3-chlorophenyl)-2-[[(4-nitroanilino)-sulfanylidenemethyl]-propylamino]propanamide IUPAC Name: (2R)-N-(3-chlorophenyl)-2-[(4-nitrophenyl)carbamothioyl-propylamino]propanamide Traditional Name: (2R)-N-(3-chlorophenyl)-2-[(4-nitrophenyl)thiocarbamoyl-propyl-amino]propionamide Formula: C19H21ClN4O3S MolecularWeight: 420.91304

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(C)C(=O)NC1=CC(=CC=C1)Cl)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCN([C@H](C)C(=O)NC1=CC(=CC=C1)Cl)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H21ClN4O3S/c1-3-11-23(13(2)18(25)21-16-6-4-5-14(20)12-16)19(28)22-15-7-9-17(10-8-15)24(26)27/h4-10,12-13H,3,11H2,1-2H3,(H,21,25)(H,22,28)/t13-/m1/s1