2-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-[2-[(4-methylphenoxy)methyl]thiazole-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[[2-[(4-methylphenoxy)methyl]-4-thiazolyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-[2-[(4-methylphenoxy)methyl]thiazole-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=NC(=CS2)C(=O)N3CC4=CC=CC=C4CC3C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=NC(=CS2)C(=O)N3CC4=CC=CC=C4CC3C(=O)N

InChI

InChI=1S/C22H21N3O3S/c1-14-6-8-17(9-7-14)28-12-20-24-18(13-29-20)22(27)25-11-16-5-3-2-4-15(16)10-19(25)21(23)26/h2-9,13,19H,10-12H2,1H3,(H2,23,26)