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

Systemtic Name: N-(3-methylphenyl)-2-[[1-(3-methylphenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-1,3-thiazole-4-carboxamide Openeye Name: N-(m-tolyl)-2-[[1-(m-tolyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]thiazole-4-carboxamide CAS Name: N-(3-methylphenyl)-2-[[1-(3-methylphenyl)-2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-4-thiazolecarboxamide IUPAC Name: N-(3-methylphenyl)-2-[[1-(3-methylphenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-1,3-thiazole-4-carboxamide Traditional Name: N-(m-tolyl)-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)NC5=CC=CC(=C5)C

Isomeric SMILES

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

InChI

InChI=1S/C31H31N3O3S/c1-4-29(35)34-14-13-22-11-12-25(17-26(22)30(34)23-9-5-7-20(2)15-23)37-18-28-33-27(19-38-28)31(36)32-24-10-6-8-21(3)16-24/h5-12,15-17,19,30H,4,13-14,18H2,1-3H3,(H,32,36)