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

Systemtic Name: 4-chloranyl-N-[(2S)-1-[(3-chloranyl-4-methyl-phenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(1S)-1-[(3-chloro-4-methyl-phenyl)carbamoyl]-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2S)-1-(3-chloro-4-methylanilino)-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2S)-1-(3-chloro-4-methylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(1S)-1-[(3-chloro-4-methyl-phenyl)carbamoyl]-3-(methylthio)propyl]-3-nitro-benzamide Formula: C19H19Cl2N3O4S MolecularWeight: 456.34286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(CCSC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](CCSC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H19Cl2N3O4S/c1-11-3-5-13(10-15(11)21)22-19(26)16(7-8-29-2)23-18(25)12-4-6-14(20)17(9-12)24(27)28/h3-6,9-10,16H,7-8H2,1-2H3,(H,22,26)(H,23,25)/t16-/m0/s1