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

Systemtic Name: N-[(2S)-1-[(2-hydroxyethylamino)-phenyl-amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-methyl-3-oxidanyl-benzamide Openeye Name: 3-hydroxy-N-[(1S)-1-[(2-hydroxyethylamino)-phenyl-carbamoyl]-3-methylsulfanyl-propyl]-2-methyl-benzamide CAS Name: 3-hydroxy-N-[(2S)-1-(N-(2-hydroxyethylamino)anilino)-4-(methylthio)-1-oxobutan-2-yl]-2-methylbenzamide IUPAC Name: 3-hydroxy-N-[(2S)-1-(N-(2-hydroxyethylamino)anilino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methylbenzamide Traditional Name: 3-hydroxy-N-[(1S)-1-[(2-hydroxyethylamino)-phenyl-carbamoyl]-3-(methylthio)propyl]-2-methyl-benzamide Formula: C21H27N3O4S MolecularWeight: 417.52178

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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)NCCO

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-15-17(9-6-10-19(15)26)20(27)23-18(11-14-29-2)21(28)24(22-12-13-25)16-7-4-3-5-8-16/h3-10,18,22,25-26H,11-14H2,1-2H3,(H,23,27)/t18-/m0/s1