3,4-dimethoxy-N-[(2R)-3-[4-(oxidanylamino)-4-oxidanylidene-butyl]sulfanyl-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]benzamide

Systemtic Name: 3,4-dimethoxy-N-[(2R)-3-[4-(oxidanylamino)-4-oxidanylidene-butyl]sulfanyl-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]benzamide Openeye Name: N-[(1R)-2-(benzylamino)-1-[[4-(hydroxyamino)-4-oxo-butyl]sulfanylmethyl]-2-oxo-ethyl]-3,4-dimethoxy-benzamide CAS Name: N-[(2R)-3-[[4-(hydroxyamino)-4-oxobutyl]thio]-1-oxo-1-[(phenylmethyl)amino]propan-2-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[(2R)-1-(benzylamino)-3-[4-(hydroxyamino)-4-oxobutyl]sulfanyl-1-oxopropan-2-yl]-3,4-dimethoxybenzamide Traditional Name: N-[(1R)-2-(benzylamino)-1-[[[4-(hydroxyamino)-4-keto-butyl]thio]methyl]-2-keto-ethyl]-3,4-dimethoxy-benzamide Formula: C23H29N3O6S MolecularWeight: 475.55786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(CSCCCC(=O)NO)C(=O)NCC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N[C@@H](CSCCCC(=O)NO)C(=O)NCC2=CC=CC=C2)OC

InChI

InChI=1S/C23H29N3O6S/c1-31-19-11-10-17(13-20(19)32-2)22(28)25-18(15-33-12-6-9-21(27)26-30)23(29)24-14-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,18,30H,6,9,12,14-15H2,1-2H3,(H,24,29)(H,25,28)(H,26,27)/t18-/m0/s1