N-[(2R)-1-phenyl-3-sulfanyl-propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Systemtic Name: N-[(2R)-1-phenyl-3-sulfanyl-propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Openeye Name: N-[(1R)-1-benzyl-2-sulfanyl-ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide CAS Name: N-[(2R)-1-mercapto-3-phenylpropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide IUPAC Name: N-[(2R)-1-phenyl-3-sulfanylpropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Traditional Name: N-[(1R)-1-benzyl-2-mercapto-ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Formula: C19H22N2OS MolecularWeight: 326.45578

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NCC2=CC=CC=C21)C(=O)NC(CC3=CC=CC=C3)CS

Isomeric SMILES

C1C(NCC2=CC=CC=C21)C(=O)N[C@H](CC3=CC=CC=C3)CS

InChI

InChI=1S/C19H22N2OS/c22-19(18-11-15-8-4-5-9-16(15)12-20-18)21-17(13-23)10-14-6-2-1-3-7-14/h1-9,17-18,20,23H,10-13H2,(H,21,22)/t17-,18?/m1/s1