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

Systemtic Name: 4-chloranyl-N-[(2S)-1-[(4-chlorophenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(1S)-1-[(4-chlorophenyl)carbamoyl]-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2S)-1-(4-chloroanilino)-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2S)-1-(4-chloroanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(1S)-1-[(4-chlorophenyl)carbamoyl]-3-(methylthio)propyl]-3-nitro-benzamide Formula: C18H17Cl2N3O4S MolecularWeight: 442.31628

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC=C(C=C1)Cl)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CSCC[C@@H](C(=O)NC1=CC=C(C=C1)Cl)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H17Cl2N3O4S/c1-28-9-8-15(18(25)21-13-5-3-12(19)4-6-13)22-17(24)11-2-7-14(20)16(10-11)23(26)27/h2-7,10,15H,8-9H2,1H3,(H,21,25)(H,22,24)/t15-/m0/s1