6,7-bis(oxidanyl)-N-[3-phenyl-2-(phenylmethoxymethyl)propyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: 6,7-bis(oxidanyl)-N-[3-phenyl-2-(phenylmethoxymethyl)propyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(2-benzyl-3-benzyloxy-propyl)-6,7-dihydroxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 6,7-dihydroxy-N-[3-phenyl-2-(phenylmethoxymethyl)propyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(2-benzyl-3-phenylmethoxypropyl)-6,7-dihydroxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-[2-(benzoxymethyl)-3-phenyl-propyl]-6,7-dihydroxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C27H30N2O3S MolecularWeight: 462.6037

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC(=C(C=C21)O)O)C(=S)NCC(CC3=CC=CC=C3)COCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=CC(=C(C=C21)O)O)C(=S)NCC(CC3=CC=CC=C3)COCC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O3S/c30-25-14-23-11-12-29(17-24(23)15-26(25)31)27(33)28-16-22(13-20-7-3-1-4-8-20)19-32-18-21-9-5-2-6-10-21/h1-10,14-15,22,30-31H,11-13,16-19H2,(H,28,33)