N,N-diethyl-4-[[(2S)-2-(4-nitrophenyl)sulfanylpropanoyl]amino]benzamide

Systemtic Name: N,N-diethyl-4-[[(2S)-2-(4-nitrophenyl)sulfanylpropanoyl]amino]benzamide Openeye Name: N,N-diethyl-4-[[(2S)-2-(4-nitrophenyl)sulfanylpropanoyl]amino]benzamide CAS Name: N,N-diethyl-4-[[(2S)-2-[(4-nitrophenyl)thio]-1-oxopropyl]amino]benzamide IUPAC Name: N,N-diethyl-4-[[(2S)-2-(4-nitrophenyl)sulfanylpropanoyl]amino]benzamide Traditional Name: N,N-diethyl-4-[[(2S)-2-[(4-nitrophenyl)thio]propanoyl]amino]benzamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)[C@H](C)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4S/c1-4-22(5-2)20(25)15-6-8-16(9-7-15)21-19(24)14(3)28-18-12-10-17(11-13-18)23(26)27/h6-14H,4-5H2,1-3H3,(H,21,24)/t14-/m0/s1