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

Systemtic Name: 2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide Openeye Name: 2-(1-amino-4-phenyl-imidazol-2-yl)sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-[(1-amino-4-phenyl-2-imidazolyl)thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-[(1-amino-4-phenyl-imidazol-2-yl)thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NC(=CN3N)C4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NC(=CN3N)C4=CC=CC=C4)OC1

InChI

InChI=1S/C20H20N4O3S/c21-24-12-16(14-5-2-1-3-6-14)23-20(24)28-13-19(25)22-15-7-8-17-18(11-15)27-10-4-9-26-17/h1-3,5-8,11-12H,4,9-10,13,21H2,(H,22,25)