N-[(3-butylimidazol-4-yl)methylsulfanyl]-N-phenyl-2,3-dihydro-1H-1-benzazepine-4-carboxamide

Systemtic Name: N-[(3-butylimidazol-4-yl)methylsulfanyl]-N-phenyl-2,3-dihydro-1H-1-benzazepine-4-carboxamide Openeye Name: N-[(3-butylimidazol-4-yl)methylsulfanyl]-N-phenyl-2,3-dihydro-1H-1-benzazepine-4-carboxamide CAS Name: N-[(3-butyl-4-imidazolyl)methylthio]-N-phenyl-2,3-dihydro-1H-1-benzazepine-4-carboxamide IUPAC Name: N-[(3-butylimidazol-4-yl)methylsulfanyl]-N-phenyl-2,3-dihydro-1H-1-benzazepine-4-carboxamide Traditional Name: N-[(3-butylimidazol-4-yl)methylthio]-N-phenyl-2,3-dihydro-1H-1-benzazepine-4-carboxamide Formula: C25H28N4OS MolecularWeight: 432.58102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC=C1CSN(C2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4NCC3

Isomeric SMILES

CCCCN1C=NC=C1CSN(C2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4NCC3

InChI

InChI=1S/C25H28N4OS/c1-2-3-15-28-19-26-17-23(28)18-31-29(22-10-5-4-6-11-22)25(30)21-13-14-27-24-12-8-7-9-20(24)16-21/h4-12,16-17,19,27H,2-3,13-15,18H2,1H3