N-[(2S)-1-[(hydroxymethylamino)-phenyl-amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-methyl-3-oxidanyl-benzamide

Systemtic Name: N-[(2S)-1-[(hydroxymethylamino)-phenyl-amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-methyl-3-oxidanyl-benzamide Openeye Name: 3-hydroxy-N-[(1S)-1-[(hydroxymethylamino)-phenyl-carbamoyl]-3-methylsulfanyl-propyl]-2-methyl-benzamide CAS Name: 3-hydroxy-N-[(2S)-1-(N-(hydroxymethylamino)anilino)-4-(methylthio)-1-oxobutan-2-yl]-2-methylbenzamide IUPAC Name: 3-hydroxy-N-[(2S)-1-(N-(hydroxymethylamino)anilino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methylbenzamide Traditional Name: 3-hydroxy-2-methyl-N-[(1S)-1-[(methylolamino)-phenyl-carbamoyl]-3-(methylthio)propyl]benzamide Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1O)C(=O)NC(CCSC)C(=O)N(C2=CC=CC=C2)NCO

Isomeric SMILES

CC1=C(C=CC=C1O)C(=O)N[C@@H](CCSC)C(=O)N(C2=CC=CC=C2)NCO

InChI

InChI=1S/C20H25N3O4S/c1-14-16(9-6-10-18(14)25)19(26)22-17(11-12-28-2)20(27)23(21-13-24)15-7-4-3-5-8-15/h3-10,17,21,24-25H,11-13H2,1-2H3,(H,22,26)/t17-/m0/s1