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

Systemtic Name: 7,8-bis(oxidanyl)-N-(3-phenylpropyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide Openeye Name: 7,8-dihydroxy-N-(3-phenylpropyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide CAS Name: 7,8-dihydroxy-N-(3-phenylpropyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide IUPAC Name: 7,8-dihydroxy-N-(3-phenylpropyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide Traditional Name: 7,8-dihydroxy-N-(3-phenylpropyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC(=C(C=C2CN(C1)C(=S)NCCCC3=CC=CC=C3)O)O

Isomeric SMILES

C1CC2=CC(=C(C=C2CN(C1)C(=S)NCCCC3=CC=CC=C3)O)O

InChI

InChI=1S/C20H24N2O2S/c23-18-12-16-9-5-11-22(14-17(16)13-19(18)24)20(25)21-10-4-8-15-6-2-1-3-7-15/h1-3,6-7,12-13,23-24H,4-5,8-11,14H2,(H,21,25)