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

Systemtic Name: N-[(2S)-1-[[2-(ethylamino)-2-oxidanylidene-ethyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1S)-1-[[2-(ethylamino)-2-oxo-ethyl]carbamoyl]-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1S)-1-[[2-(ethylamino)-2-keto-ethyl]carbamoyl]-3-(methylthio)propyl]-3-nitro-benzamide Formula: C16H22N4O5S MolecularWeight: 382.43468

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CNC(=O)C(CCSC)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O5S/c1-3-17-14(21)10-18-16(23)13(7-8-26-2)19-15(22)11-5-4-6-12(9-11)20(24)25/h4-6,9,13H,3,7-8,10H2,1-2H3,(H,17,21)(H,18,23)(H,19,22)/t13-/m0/s1