N-[4-(2-butoxyethoxy)phenyl]-1-propyl-N-(4-pyridin-2-ylsulfanylphenyl)-2,3-dihydro-1-benzazepine-4-carboxamide

Systemtic Name: N-[4-(2-butoxyethoxy)phenyl]-1-propyl-N-(4-pyridin-2-ylsulfanylphenyl)-2,3-dihydro-1-benzazepine-4-carboxamide Openeye Name: N-[4-(2-butoxyethoxy)phenyl]-1-propyl-N-[4-(2-pyridylsulfanyl)phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide CAS Name: N-[4-(2-butoxyethoxy)phenyl]-1-propyl-N-[4-(2-pyridinylthio)phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide IUPAC Name: N-[4-(2-butoxyethoxy)phenyl]-1-propyl-N-(4-pyridin-2-ylsulfanylphenyl)-2,3-dihydro-1-benzazepine-4-carboxamide Traditional Name: N-[4-(2-butoxyethoxy)phenyl]-1-propyl-N-[4-(2-pyridylthio)phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide Formula: C37H41N3O3S MolecularWeight: 607.80474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=CC=C(C=C1)N(C2=CC=C(C=C2)SC3=CC=CC=N3)C(=O)C4=CC5=CC=CC=C5N(CC4)CCC

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)N(C2=CC=C(C=C2)SC3=CC=CC=N3)C(=O)C4=CC5=CC=CC=C5N(CC4)CCC

InChI

InChI=1S/C37H41N3O3S/c1-3-5-25-42-26-27-43-33-17-13-31(14-18-33)40(32-15-19-34(20-16-32)44-36-12-8-9-22-38-36)37(41)30-21-24-39(23-4-2)35-11-7-6-10-29(35)28-30/h6-20,22,28H,3-5,21,23-27H2,1-2H3