7-oxidanyl-N-[3-oxidanyl-1-oxidanylidene-1-(2-sulfanylethylamino)butan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Systemtic Name: 7-oxidanyl-N-[3-oxidanyl-1-oxidanylidene-1-(2-sulfanylethylamino)butan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Openeye Name: 7-hydroxy-N-[2-hydroxy-1-(2-sulfanylethylcarbamoyl)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide CAS Name: 7-hydroxy-N-[3-hydroxy-1-(2-mercaptoethylamino)-1-oxobutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide IUPAC Name: 7-hydroxy-N-[3-hydroxy-1-oxo-1-(2-sulfanylethylamino)butan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Traditional Name: 7-hydroxy-N-[2-hydroxy-1-(2-mercaptoethylcarbamoyl)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Formula: C16H23N3O4S MolecularWeight: 353.43652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NCCS)NC(=O)C1CC2=C(CN1)C=C(C=C2)O)O

Isomeric SMILES

CC(C(C(=O)NCCS)NC(=O)C1CC2=C(CN1)C=C(C=C2)O)O

InChI

InChI=1S/C16H23N3O4S/c1-9(20)14(16(23)17-4-5-24)19-15(22)13-7-10-2-3-12(21)6-11(10)8-18-13/h2-3,6,9,13-14,18,20-21,24H,4-5,7-8H2,1H3,(H,17,23)(H,19,22)