N-ethyl-2-[[1-(3-methylphenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-ethyl-2-[[1-(3-methylphenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-1,3-thiazole-4-carboxamide Openeye Name: N-ethyl-2-[[1-(m-tolyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]thiazole-4-carboxamide CAS Name: N-ethyl-2-[[1-(3-methylphenyl)-2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-4-thiazolecarboxamide IUPAC Name: N-ethyl-2-[[1-(3-methylphenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-1,3-thiazole-4-carboxamide Traditional Name: N-ethyl-2-[[1-(m-tolyl)-2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]thiazole-4-carboxamide Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1C3=CC(=CC=C3)C)C=C(C=C2)OCC4=NC(=CS4)C(=O)NCC

Isomeric SMILES

CCC(=O)N1CCC2=C(C1C3=CC(=CC=C3)C)C=C(C=C2)OCC4=NC(=CS4)C(=O)NCC

InChI

InChI=1S/C26H29N3O3S/c1-4-24(30)29-12-11-18-9-10-20(14-21(18)25(29)19-8-6-7-17(3)13-19)32-15-23-28-22(16-33-23)26(31)27-5-2/h6-10,13-14,16,25H,4-5,11-12,15H2,1-3H3,(H,27,31)