N-[(2S)-1-[(2-ethyl-6-methyl-phenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide

Systemtic Name: N-[(2S)-1-[(2-ethyl-6-methyl-phenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1S)-1-[(2-ethyl-6-methyl-phenyl)carbamoyl]-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: N-[(2S)-1-(2-ethyl-6-methylanilino)-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2S)-1-(2-ethyl-6-methylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1S)-1-[(2-ethyl-6-methyl-phenyl)carbamoyl]-3-(methylthio)propyl]-3-nitro-benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(CCSC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)[C@H](CCSC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C21H25N3O4S/c1-4-15-8-5-7-14(2)19(15)23-21(26)18(11-12-29-3)22-20(25)16-9-6-10-17(13-16)24(27)28/h5-10,13,18H,4,11-12H2,1-3H3,(H,22,25)(H,23,26)/t18-/m0/s1