7,8-bis(oxidanyl)-N-phenethyl-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide

Systemtic Name: 7,8-bis(oxidanyl)-N-phenethyl-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide Openeye Name: 7,8-dihydroxy-N-phenethyl-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide CAS Name: 7,8-dihydroxy-N-phenethyl-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide IUPAC Name: 7,8-dihydroxy-N-phenethyl-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide Traditional Name: 7,8-dihydroxy-N-phenethyl-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide Formula: C19H22N2O2S MolecularWeight: 342.45518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC(=C(C=C2CN(C1)C(=S)NCCC3=CC=CC=C3)O)O

Isomeric SMILES

C1CC2=CC(=C(C=C2CN(C1)C(=S)NCCC3=CC=CC=C3)O)O

InChI

InChI=1S/C19H22N2O2S/c22-17-11-15-7-4-10-21(13-16(15)12-18(17)23)19(24)20-9-8-14-5-2-1-3-6-14/h1-3,5-6,11-12,22-23H,4,7-10,13H2,(H,20,24)