N-(2-imidazol-1-ylethyl)-1-(2-methylpropyl)-N-(2-sulfanylphenyl)-2,3-dihydro-1-benzazepine-4-carboxamide

Systemtic Name: N-(2-imidazol-1-ylethyl)-1-(2-methylpropyl)-N-(2-sulfanylphenyl)-2,3-dihydro-1-benzazepine-4-carboxamide Openeye Name: N-(2-imidazol-1-ylethyl)-1-isobutyl-N-(2-sulfanylphenyl)-2,3-dihydro-1-benzazepine-4-carboxamide CAS Name: N-[2-(1-imidazolyl)ethyl]-N-(2-mercaptophenyl)-1-(2-methylpropyl)-2,3-dihydro-1-benzazepine-4-carboxamide IUPAC Name: N-(2-imidazol-1-ylethyl)-1-(2-methylpropyl)-N-(2-sulfanylphenyl)-2,3-dihydro-1-benzazepine-4-carboxamide Traditional Name: N-(2-imidazol-1-ylethyl)-1-isobutyl-N-(2-mercaptophenyl)-2,3-dihydro-1-benzazepine-4-carboxamide Formula: C26H30N4OS MolecularWeight: 446.6076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCC(=CC2=CC=CC=C21)C(=O)N(CCN3C=CN=C3)C4=CC=CC=C4S

Isomeric SMILES

CC(C)CN1CCC(=CC2=CC=CC=C21)C(=O)N(CCN3C=CN=C3)C4=CC=CC=C4S

InChI

InChI=1S/C26H30N4OS/c1-20(2)18-29-13-11-22(17-21-7-3-4-8-23(21)29)26(31)30(16-15-28-14-12-27-19-28)24-9-5-6-10-25(24)32/h3-10,12,14,17,19-20,32H,11,13,15-16,18H2,1-2H3