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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)NC(=O)C2=CC3=CC=CC=C3C=N2

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](CS)NC(=O)C2=CC3=CC=CC=C3C=N2

InChI

InChI=1S/C19H18N2OS/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/h1-9,11-12,17,23H,10,13H2,(H,21,22)/t17-/m1/s1