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

Systemtic Name: 4-chloranyl-N-[(2S)-1-[[2-(ethylamino)-2-oxidanylidene-ethyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(1S)-1-[[2-(ethylamino)-2-oxo-ethyl]carbamoyl]-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(1S)-1-[[2-(ethylamino)-2-keto-ethyl]carbamoyl]-3-(methylthio)propyl]-3-nitro-benzamide Formula: C16H21ClN4O5S MolecularWeight: 416.87974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN4O5S/c1-3-18-14(22)9-19-16(24)12(6-7-27-2)20-15(23)10-4-5-11(17)13(8-10)21(25)26/h4-5,8,12H,3,6-7,9H2,1-2H3,(H,18,22)(H,19,24)(H,20,23)/t12-/m0/s1