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

Systemtic Name: 2-[[1-(3-methylphenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(phenylmethyl)-1,3-thiazole-4-carboxamide Openeye Name: N-benzyl-2-[[1-(m-tolyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]thiazole-4-carboxamide CAS Name: 2-[[1-(3-methylphenyl)-2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(phenylmethyl)-4-thiazolecarboxamide IUPAC Name: N-benzyl-2-[[1-(3-methylphenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-1,3-thiazole-4-carboxamide Traditional Name: N-benzyl-2-[[1-(m-tolyl)-2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]thiazole-4-carboxamide Formula: C31H31N3O3S MolecularWeight: 525.66114

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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)NCC5=CC=CC=C5

Isomeric SMILES

CCC(=O)N1CCC2=C(C1C3=CC(=CC=C3)C)C=C(C=C2)OCC4=NC(=CS4)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C31H31N3O3S/c1-3-29(35)34-15-14-23-12-13-25(17-26(23)30(34)24-11-7-8-21(2)16-24)37-19-28-33-27(20-38-28)31(36)32-18-22-9-5-4-6-10-22/h4-13,16-17,20,30H,3,14-15,18-19H2,1-2H3,(H,32,36)