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

Systemtic Name: N-[(2S)-1-[(4-ethylphenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1S)-1-[(4-ethylphenyl)carbamoyl]-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: N-[(2S)-1-(4-ethylanilino)-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2S)-1-(4-ethylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1S)-1-[(4-ethylphenyl)carbamoyl]-3-(methylthio)propyl]-3-nitro-benzamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(CCSC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](CCSC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4S/c1-3-14-7-9-16(10-8-14)21-20(25)18(11-12-28-2)22-19(24)15-5-4-6-17(13-15)23(26)27/h4-10,13,18H,3,11-12H2,1-2H3,(H,21,25)(H,22,24)/t18-/m0/s1