N,N-diethyl-4-[2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanylethanoylamino]benzamide

Systemtic Name: N,N-diethyl-4-[2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanylethanoylamino]benzamide Openeye Name: N,N-diethyl-4-[[2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanylacetyl]amino]benzamide CAS Name: N,N-diethyl-4-[[2-[[(1R)-1-(3-nitrophenyl)ethyl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: N,N-diethyl-4-[[2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanylacetyl]amino]benzamide Traditional Name: N,N-diethyl-4-[[2-[[(1R)-1-(3-nitrophenyl)ethyl]thio]acetyl]amino]benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-4-23(5-2)21(26)16-9-11-18(12-10-16)22-20(25)14-29-15(3)17-7-6-8-19(13-17)24(27)28/h6-13,15H,4-5,14H2,1-3H3,(H,22,25)/t15-/m1/s1