N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide Openeye Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]thiazol-2-yl]thiophene-2-carboxamide CAS Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-thiazolyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide Traditional Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thiazol-2-yl]thiophene-2-carboxamide Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CC3=CSC(=N3)NC(=O)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CC3=CSC(=N3)NC(=O)C4=CC=CS4)OC

InChI

InChI=1S/C21H21N3O4S2/c1-27-16-8-13-5-6-24(11-14(13)9-17(16)28-2)19(25)10-15-12-30-21(22-15)23-20(26)18-4-3-7-29-18/h3-4,7-9,12H,5-6,10-11H2,1-2H3,(H,22,23,26)