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

Systemtic Name: N-[(2S)-1-[(2-hydroxyethylamino)-(phenylmethyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-methyl-3-oxidanyl-benzamide Openeye Name: N-[(1S)-1-[benzyl-(2-hydroxyethylamino)carbamoyl]-3-methylsulfanyl-propyl]-3-hydroxy-2-methyl-benzamide CAS Name: 3-hydroxy-N-[(2S)-1-[(2-hydroxyethylamino)-(phenylmethyl)amino]-4-(methylthio)-1-oxobutan-2-yl]-2-methylbenzamide IUPAC Name: N-[(2S)-1-[benzyl-(2-hydroxyethylamino)amino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-hydroxy-2-methylbenzamide Traditional Name: N-[(1S)-1-[benzyl-(2-hydroxyethylamino)carbamoyl]-3-(methylthio)propyl]-3-hydroxy-2-methyl-benzamide Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1O)C(=O)NC(CCSC)C(=O)N(CC2=CC=CC=C2)NCCO

Isomeric SMILES

CC1=C(C=CC=C1O)C(=O)N[C@@H](CCSC)C(=O)N(CC2=CC=CC=C2)NCCO

InChI

InChI=1S/C22H29N3O4S/c1-16-18(9-6-10-20(16)27)21(28)24-19(11-14-30-2)22(29)25(23-12-13-26)15-17-7-4-3-5-8-17/h3-10,19,23,26-27H,11-15H2,1-2H3,(H,24,28)/t19-/m0/s1