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

Systemtic Name: N-[(2S)-1-[(4-aminocarbonylphenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[(1S)-1-[(4-carbamoylphenyl)carbamoyl]-3-methylsulfanyl-propyl]-4-chloro-3-nitro-benzamide CAS Name: N-[(2S)-1-(4-carbamoylanilino)-4-(methylthio)-1-oxobutan-2-yl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[(2S)-1-(4-carbamoylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-4-chloro-3-nitrobenzamide Traditional Name: N-[(1S)-1-[(4-carbamoylphenyl)carbamoyl]-3-(methylthio)propyl]-4-chloro-3-nitro-benzamide Formula: C19H19ClN4O5S MolecularWeight: 450.89596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN4O5S/c1-30-9-8-15(19(27)22-13-5-2-11(3-6-13)17(21)25)23-18(26)12-4-7-14(20)16(10-12)24(28)29/h2-7,10,15H,8-9H2,1H3,(H2,21,25)(H,22,27)(H,23,26)/t15-/m0/s1