N-[2-(4-methoxyphenyl)ethyl]-7,8-bis(oxidanyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-7,8-bis(oxidanyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide Openeye Name: 7,8-dihydroxy-N-[2-(4-methoxyphenyl)ethyl]-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide CAS Name: 7,8-dihydroxy-N-[2-(4-methoxyphenyl)ethyl]-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide IUPAC Name: 7,8-dihydroxy-N-[2-(4-methoxyphenyl)ethyl]-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide Traditional Name: 7,8-dihydroxy-N-[2-(4-methoxyphenyl)ethyl]-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide Formula: C20H24N2O3S MolecularWeight: 372.48116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=S)N2CCCC3=CC(=C(C=C3C2)O)O

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=S)N2CCCC3=CC(=C(C=C3C2)O)O

InChI

InChI=1S/C20H24N2O3S/c1-25-17-6-4-14(5-7-17)8-9-21-20(26)22-10-2-3-15-11-18(23)19(24)12-16(15)13-22/h4-7,11-12,23-24H,2-3,8-10,13H2,1H3,(H,21,26)