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

Systemtic Name: 2-[[2-(3-methylbutanoyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide Openeye Name: N-allyl-2-[[2-(3-methylbutanoyl)-1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]thiazole-4-carboxamide CAS Name: 2-[[2-(3-methyl-1-oxobutyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-prop-2-enyl-4-thiazolecarboxamide IUPAC Name: 2-[[2-(3-methylbutanoyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide Traditional Name: N-allyl-2-[[2-isovaleryl-1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]thiazole-4-carboxamide Formula: C29H33N3O3S MolecularWeight: 503.65562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3=C(CCN2C(=O)CC(C)C)C=CC(=C3)OCC4=NC(=CS4)C(=O)NCC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2C3=C(CCN2C(=O)CC(C)C)C=CC(=C3)OCC4=NC(=CS4)C(=O)NCC=C

InChI

InChI=1S/C29H33N3O3S/c1-5-13-30-29(34)25-18-36-26(31-25)17-35-23-11-10-21-12-14-32(27(33)15-19(2)3)28(24(21)16-23)22-8-6-20(4)7-9-22/h5-11,16,18-19,28H,1,12-15,17H2,2-4H3,(H,30,34)