N-[2-(4-chlorophenyl)ethyl]-7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide Formula: C21H25ClN2O2S MolecularWeight: 404.9534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCCC2=C1)C(=S)NCCC3=CC=C(C=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C2CN(CCCC2=C1)C(=S)NCCC3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C21H25ClN2O2S/c1-25-19-12-16-4-3-11-24(14-17(16)13-20(19)26-2)21(27)23-10-9-15-5-7-18(22)8-6-15/h5-8,12-13H,3-4,9-11,14H2,1-2H3,(H,23,27)