6,7-dimethoxy-N-[(2S)-1-oxidanylidene-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-1-(1,3-thiazol-2-ylamino)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: 6,7-dimethoxy-N-[(1S)-1-methyl-2-oxo-2-(thiazol-2-ylamino)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: 6,7-dimethoxy-N-[(2S)-1-oxo-1-(2-thiazolylamino)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: 6,7-dimethoxy-N-[(2S)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-(thiazol-2-ylamino)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O4S/c1-11(16(23)21-17-19-5-7-27-17)20-18(24)22-6-4-12-8-14(25-2)15(26-3)9-13(12)10-22/h5,7-9,11H,4,6,10H2,1-3H3,(H,20,24)(H,19,21,23)/t11-/m0/s1