(phenylmethyl) 3-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) 3-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl 3-[(4-phenylthiazol-2-yl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[oxo-[(4-phenyl-2-thiazolyl)amino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-[(4-phenylthiazol-2-yl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C27H23N3O3S MolecularWeight: 469.55482

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)C(=O)NC4=NC(=CS4)C5=CC=CC=C5

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)C(=O)NC4=NC(=CS4)C5=CC=CC=C5

InChI

InChI=1S/C27H23N3O3S/c31-25(29-26-28-23(18-34-26)20-11-5-2-6-12-20)24-15-21-13-7-8-14-22(21)16-30(24)27(32)33-17-19-9-3-1-4-10-19/h1-14,18,24H,15-17H2,(H,28,29,31)