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

Systemtic Name: 6,7-dimethoxy-N-[(2S)-1-oxidanylidene-3-phenyl-1-(1,3-thiazol-2-ylamino)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-oxo-2-(thiazol-2-ylamino)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: 6,7-dimethoxy-N-[(2S)-1-oxo-3-phenyl-1-(2-thiazolylamino)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: 6,7-dimethoxy-N-[(2S)-1-oxo-3-phenyl-1-(1,3-thiazol-2-ylamino)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-keto-2-(thiazol-2-ylamino)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C24H26N4O4S MolecularWeight: 466.55264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)NC(CC3=CC=CC=C3)C(=O)NC4=NC=CS4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NC4=NC=CS4)OC

InChI

InChI=1S/C24H26N4O4S/c1-31-20-13-17-8-10-28(15-18(17)14-21(20)32-2)24(30)26-19(12-16-6-4-3-5-7-16)22(29)27-23-25-9-11-33-23/h3-7,9,11,13-14,19H,8,10,12,15H2,1-2H3,(H,26,30)(H,25,27,29)/t19-/m0/s1