N-[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]-4-(4-fluorophenyl)sulfanyl-3-nitro-benzamide

Systemtic Name: N-[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]-4-(4-fluorophenyl)sulfanyl-3-nitro-benzamide Openeye Name: N-[(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl]-4-(4-fluorophenyl)sulfanyl-3-nitro-benzamide CAS Name: N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-4-[(4-fluorophenyl)thio]-3-nitrobenzamide IUPAC Name: N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-4-(4-fluorophenyl)sulfanyl-3-nitrobenzamide Traditional Name: N-[(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl]-4-[(4-fluorophenyl)thio]-3-nitro-benzamide Formula: C18H18FN3O4S MolecularWeight: 391.416623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18FN3O4S/c1-3-20-17(23)11(2)21-18(24)12-4-9-16(15(10-12)22(25)26)27-14-7-5-13(19)6-8-14/h4-11H,3H2,1-2H3,(H,20,23)(H,21,24)/t11-/m0/s1