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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O4S/c1-13(2)14-5-4-6-16(11-14)23-21(27)18(9-10-30-3)24-20(26)15-7-8-17(22)19(12-15)25(28)29/h4-8,11-13,18H,9-10H2,1-3H3,(H,23,27)(H,24,26)/t18-/m0/s1