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

Systemtic Name: N-(4-methylphenyl)-2-[(1-phenyl-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[(1-phenyl-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-N-(p-tolyl)thiazole-4-carboxamide CAS Name: N-(4-methylphenyl)-2-[[2-(1-oxopropyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-4-thiazolecarboxamide IUPAC Name: N-(4-methylphenyl)-2-[(1-phenyl-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[(1-phenyl-2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-N-(p-tolyl)thiazole-4-carboxamide Formula: C30H29N3O3S MolecularWeight: 511.63456

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1C3=CC=CC=C3)C=C(C=C2)OCC4=NC(=CS4)C(=O)NC5=CC=C(C=C5)C

Isomeric SMILES

CCC(=O)N1CCC2=C(C1C3=CC=CC=C3)C=C(C=C2)OCC4=NC(=CS4)C(=O)NC5=CC=C(C=C5)C

InChI

InChI=1S/C30H29N3O3S/c1-3-28(34)33-16-15-21-11-14-24(17-25(21)29(33)22-7-5-4-6-8-22)36-18-27-32-26(19-37-27)30(35)31-23-12-9-20(2)10-13-23/h4-14,17,19,29H,3,15-16,18H2,1-2H3,(H,31,35)