N-[(1-propan-2-ylimidazol-2-yl)methyl]-N-(2-sulfanylphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide

Systemtic Name: N-[(1-propan-2-ylimidazol-2-yl)methyl]-N-(2-sulfanylphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide Openeye Name: N-[(1-isopropylimidazol-2-yl)methyl]-N-(2-sulfanylphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide CAS Name: N-(2-mercaptophenyl)-N-[(1-propan-2-yl-2-imidazolyl)methyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide IUPAC Name: N-[(1-propan-2-ylimidazol-2-yl)methyl]-N-(2-sulfanylphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide Traditional Name: N-[(1-isopropylimidazol-2-yl)methyl]-N-(2-mercaptophenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide Formula: C24H26N4OS MolecularWeight: 418.55444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=CN=C1CN(C2=CC=CC=C2S)C(=O)C3=CC4=CC=CC=C4NCC3

Isomeric SMILES

CC(C)N1C=CN=C1CN(C2=CC=CC=C2S)C(=O)C3=CC4=CC=CC=C4NCC3

InChI

InChI=1S/C24H26N4OS/c1-17(2)27-14-13-26-23(27)16-28(21-9-5-6-10-22(21)30)24(29)19-11-12-25-20-8-4-3-7-18(20)15-19/h3-10,13-15,17,25,30H,11-12,16H2,1-2H3