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

Systemtic Name: N-[(2S)-1-[[2-(tert-butylamino)-2-oxidanylidene-ethyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[(1S)-1-[[2-(tert-butylamino)-2-oxo-ethyl]carbamoyl]-3-methylsulfanyl-propyl]-4-chloro-3-nitro-benzamide CAS Name: N-[(2S)-1-[[2-(tert-butylamino)-2-oxoethyl]amino]-4-(methylthio)-1-oxobutan-2-yl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[(2S)-1-[[2-(tert-butylamino)-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-4-chloro-3-nitrobenzamide Traditional Name: N-[(1S)-1-[[2-(tert-butylamino)-2-keto-ethyl]carbamoyl]-3-(methylthio)propyl]-4-chloro-3-nitro-benzamide Formula: C18H25ClN4O5S MolecularWeight: 444.9329

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN4O5S/c1-18(2,3)22-15(24)10-20-17(26)13(7-8-29-4)21-16(25)11-5-6-12(19)14(9-11)23(27)28/h5-6,9,13H,7-8,10H2,1-4H3,(H,20,26)(H,21,25)(H,22,24)/t13-/m0/s1