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

Systemtic Name: 6,7-dimethoxy-N-[(2S)-4-methyl-1-oxidanylidene-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: 6,7-dimethoxy-N-[(1S)-3-methyl-1-(thiazol-2-ylcarbamoyl)butyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: 6,7-dimethoxy-N-[(2S)-4-methyl-1-oxo-1-(2-thiazolylamino)pentan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: 6,7-dimethoxy-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: 6,7-dimethoxy-N-[(1S)-3-methyl-1-(thiazol-2-ylcarbamoyl)butyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O4S/c1-13(2)9-16(19(26)24-20-22-6-8-30-20)23-21(27)25-7-5-14-10-17(28-3)18(29-4)11-15(14)12-25/h6,8,10-11,13,16H,5,7,9,12H2,1-4H3,(H,23,27)(H,22,24,26)/t16-/m0/s1