6,7-dimethoxy-N-[(2S)-3-methyl-1-oxidanylidene-1-(1,3-thiazol-2-ylamino)butan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: 6,7-dimethoxy-N-[(2S)-3-methyl-1-oxidanylidene-1-(1,3-thiazol-2-ylamino)butan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: 6,7-dimethoxy-N-[(1S)-2-methyl-1-(thiazol-2-ylcarbamoyl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: 6,7-dimethoxy-N-[(2S)-3-methyl-1-oxo-1-(2-thiazolylamino)butan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: 6,7-dimethoxy-N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: 6,7-dimethoxy-N-[(1S)-2-methyl-1-(thiazol-2-ylcarbamoyl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C20H26N4O4S MolecularWeight: 418.50984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=NC=CS1)NC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=NC=CS1)NC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C20H26N4O4S/c1-12(2)17(18(25)23-19-21-6-8-29-19)22-20(26)24-7-5-13-9-15(27-3)16(28-4)10-14(13)11-24/h6,8-10,12,17H,5,7,11H2,1-4H3,(H,22,26)(H,21,23,25)/t17-/m0/s1