4-chloranyl-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-[(4-propylphenyl)amino]butan-2-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-[(4-propylphenyl)amino]butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(1S)-3-methylsulfanyl-1-[(4-propylphenyl)carbamoyl]propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2S)-4-(methylthio)-1-oxo-1-(4-propylanilino)butan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2S)-4-methylsulfanyl-1-oxo-1-(4-propylanilino)butan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(1S)-3-(methylthio)-1-[(4-propylphenyl)carbamoyl]propyl]-3-nitro-benzamide Formula: C21H24ClN3O4S MolecularWeight: 449.95096

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)NC(=O)C(CCSC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC=C(C=C1)NC(=O)[C@H](CCSC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H24ClN3O4S/c1-3-4-14-5-8-16(9-6-14)23-21(27)18(11-12-30-2)24-20(26)15-7-10-17(22)19(13-15)25(28)29/h5-10,13,18H,3-4,11-12H2,1-2H3,(H,23,27)(H,24,26)/t18-/m0/s1