N-[(2R)-1-phenyl-3-sulfanyl-propan-2-yl]isoquinoline-1-carboxamide

Systemtic Name: N-[(2R)-1-phenyl-3-sulfanyl-propan-2-yl]isoquinoline-1-carboxamide Openeye Name: N-[(1R)-1-benzyl-2-sulfanyl-ethyl]isoquinoline-1-carboxamide CAS Name: N-[(2R)-1-mercapto-3-phenylpropan-2-yl]-1-isoquinolinecarboxamide IUPAC Name: N-[(2R)-1-phenyl-3-sulfanylpropan-2-yl]isoquinoline-1-carboxamide Traditional Name: N-[(1R)-1-benzyl-2-mercapto-ethyl]isoquinoline-1-carboxamide Formula: C19H18N2OS MolecularWeight: 322.42402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)NC(=O)C2=NC=CC3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](CS)NC(=O)C2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C19H18N2OS/c22-19(18-17-9-5-4-8-15(17)10-11-20-18)21-16(13-23)12-14-6-2-1-3-7-14/h1-11,16,23H,12-13H2,(H,21,22)/t16-/m1/s1