N-[(2S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: N-[(2S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: N-[(1S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-carbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: N-[(2S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: N-[(2S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: N-[(1S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-carbamoyl]-3-(methylthio)propyl]benzamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1COC2=CC=CC=C2O1)C(=O)C(CCSC)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CN(C[C@H]1COC2=CC=CC=C2O1)C(=O)[C@H](CCSC)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O4S/c1-24(14-17-15-27-19-10-6-7-11-20(19)28-17)22(26)18(12-13-29-2)23-21(25)16-8-4-3-5-9-16/h3-11,17-18H,12-15H2,1-2H3,(H,23,25)/t17-,18-/m0/s1