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

Systemtic Name: N-[(1-butylimidazol-2-yl)methyl]-1-(2-methylpropyl)-N-(2-sulfanylphenyl)-2,3-dihydro-1-benzazepine-4-carboxamide Openeye Name: N-[(1-butylimidazol-2-yl)methyl]-1-isobutyl-N-(2-sulfanylphenyl)-2,3-dihydro-1-benzazepine-4-carboxamide CAS Name: N-[(1-butyl-2-imidazolyl)methyl]-N-(2-mercaptophenyl)-1-(2-methylpropyl)-2,3-dihydro-1-benzazepine-4-carboxamide IUPAC Name: N-[(1-butylimidazol-2-yl)methyl]-1-(2-methylpropyl)-N-(2-sulfanylphenyl)-2,3-dihydro-1-benzazepine-4-carboxamide Traditional Name: N-[(1-butylimidazol-2-yl)methyl]-1-isobutyl-N-(2-mercaptophenyl)-2,3-dihydro-1-benzazepine-4-carboxamide Formula: C29H36N4OS MolecularWeight: 488.68734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=CN=C1CN(C2=CC=CC=C2S)C(=O)C3=CC4=CC=CC=C4N(CC3)CC(C)C

Isomeric SMILES

CCCCN1C=CN=C1CN(C2=CC=CC=C2S)C(=O)C3=CC4=CC=CC=C4N(CC3)CC(C)C

InChI

InChI=1S/C29H36N4OS/c1-4-5-16-31-18-15-30-28(31)21-33(26-12-8-9-13-27(26)35)29(34)24-14-17-32(20-22(2)3)25-11-7-6-10-23(25)19-24/h6-13,15,18-19,22,35H,4-5,14,16-17,20-21H2,1-3H3