(3S)-2-ethanoyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-ethanoyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-acetyl-N-(5-methyl-4-phenyl-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-acetyl-N-(5-methyl-4-phenyl-2-thiazolyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-acetyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-acetyl-N-(5-methyl-4-phenyl-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C(S1)NC(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O2S/c1-14-20(16-8-4-3-5-9-16)23-22(28-14)24-21(27)19-12-17-10-6-7-11-18(17)13-25(19)15(2)26/h3-11,19H,12-13H2,1-2H3,(H,23,24,27)/t19-/m0/s1