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

Systemtic Name: N-[(1-ethylimidazol-2-yl)methyl]-1-(2-methylpropyl)-N-(2-sulfanylphenyl)-2,3-dihydro-1-benzazepine-4-carboxamide Openeye Name: N-[(1-ethylimidazol-2-yl)methyl]-1-isobutyl-N-(2-sulfanylphenyl)-2,3-dihydro-1-benzazepine-4-carboxamide CAS Name: N-[(1-ethyl-2-imidazolyl)methyl]-N-(2-mercaptophenyl)-1-(2-methylpropyl)-2,3-dihydro-1-benzazepine-4-carboxamide IUPAC Name: N-[(1-ethylimidazol-2-yl)methyl]-1-(2-methylpropyl)-N-(2-sulfanylphenyl)-2,3-dihydro-1-benzazepine-4-carboxamide Traditional Name: N-[(1-ethylimidazol-2-yl)methyl]-1-isobutyl-N-(2-mercaptophenyl)-2,3-dihydro-1-benzazepine-4-carboxamide Formula: C27H32N4OS MolecularWeight: 460.63418

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CN=C1CN(C2=CC=CC=C2S)C(=O)C3=CC4=CC=CC=C4N(CC3)CC(C)C

Isomeric SMILES

CCN1C=CN=C1CN(C2=CC=CC=C2S)C(=O)C3=CC4=CC=CC=C4N(CC3)CC(C)C

InChI

InChI=1S/C27H32N4OS/c1-4-29-16-14-28-26(29)19-31(24-11-7-8-12-25(24)33)27(32)22-13-15-30(18-20(2)3)23-10-6-5-9-21(23)17-22/h5-12,14,16-17,20,33H,4,13,15,18-19H2,1-3H3