N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]thiophene-3-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-3-carboxamide Openeye Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]thiazol-2-yl]thiophene-3-carboxamide CAS Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-thiazolyl]-3-thiophenecarboxamide IUPAC Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide Traditional Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thiazol-2-yl]thiophene-3-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=CSC=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S2/c1-27-17-7-13-3-5-24(10-15(13)8-18(17)28-2)19(25)9-16-12-30-21(22-16)23-20(26)14-4-6-29-11-14/h4,6-8,11-12H,3,5,9-10H2,1-2H3,(H,22,23,26)