6,7-dimethoxy-N-[(2S)-4-methylsulfanyl-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)-4-methylsulfanyl-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)-3-methylsulfanyl-1-(thiazol-2-ylcarbamoyl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: 6,7-dimethoxy-N-[(2S)-4-(methylthio)-1-oxo-1-(2-thiazolylamino)butan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: 6,7-dimethoxy-N-[(2S)-4-methylsulfanyl-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)-3-(methylthio)-1-(thiazol-2-ylcarbamoyl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C20H26N4O4S2 MolecularWeight: 450.57484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)NC(CCSC)C(=O)NC3=NC=CS3)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)N[C@@H](CCSC)C(=O)NC3=NC=CS3)OC

InChI

InChI=1S/C20H26N4O4S2/c1-27-16-10-13-4-7-24(12-14(13)11-17(16)28-2)20(26)22-15(5-8-29-3)18(25)23-19-21-6-9-30-19/h6,9-11,15H,4-5,7-8,12H2,1-3H3,(H,22,26)(H,21,23,25)/t15-/m0/s1