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

Systemtic Name: N-[(1-pentylimidazol-2-yl)methyl]-N-(2-sulfanylphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide Openeye Name: N-[(1-pentylimidazol-2-yl)methyl]-N-(2-sulfanylphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide CAS Name: N-(2-mercaptophenyl)-N-[(1-pentyl-2-imidazolyl)methyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide IUPAC Name: N-[(1-pentylimidazol-2-yl)methyl]-N-(2-sulfanylphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide Traditional Name: N-[(1-amylimidazol-2-yl)methyl]-N-(2-mercaptophenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide Formula: C26H30N4OS MolecularWeight: 446.6076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=CN=C1CN(C2=CC=CC=C2S)C(=O)C3=CC4=CC=CC=C4NCC3

Isomeric SMILES

CCCCCN1C=CN=C1CN(C2=CC=CC=C2S)C(=O)C3=CC4=CC=CC=C4NCC3

InChI

InChI=1S/C26H30N4OS/c1-2-3-8-16-29-17-15-28-25(29)19-30(23-11-6-7-12-24(23)32)26(31)21-13-14-27-22-10-5-4-9-20(22)18-21/h4-7,9-12,15,17-18,27,32H,2-3,8,13-14,16,19H2,1H3