2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]ethanamide

Systemtic Name: 2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]ethanamide Openeye Name: 2-(1-amino-4-phenyl-imidazol-2-yl)sulfanyl-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]acetamide CAS Name: 2-[(1-amino-4-phenyl-2-imidazolyl)thio]-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]acetamide IUPAC Name: 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]acetamide Traditional Name: 2-[(1-amino-4-phenyl-imidazol-2-yl)thio]-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]acetamide Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NC(=O)CSC3=NC(=CN3N)C4=CC=CC=C4

Isomeric SMILES

CC(C)[C@@H](C1=CC2=C(C=C1)OCCCO2)NC(=O)CSC3=NC(=CN3N)C4=CC=CC=C4

InChI

InChI=1S/C24H28N4O3S/c1-16(2)23(18-9-10-20-21(13-18)31-12-6-11-30-20)27-22(29)15-32-24-26-19(14-28(24)25)17-7-4-3-5-8-17/h3-5,7-10,13-14,16,23H,6,11-12,15,25H2,1-2H3,(H,27,29)/t23-/m0/s1