2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)ethanamide

Systemtic Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)ethanamide Openeye Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)acetamide CAS Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-oxomethyl]acetamide IUPAC Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)acetamide Traditional Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)acetamide Formula: C23H23N5O4S MolecularWeight: 465.52482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)NC(=O)CSC3=NN(C(=N3)C4CC4)C5=CC=CC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)NC(=O)CSC3=NN(C(=N3)C4CC4)C5=CC=CC=C5)OC1

InChI

InChI=1S/C23H23N5O4S/c29-20(25-22(30)24-16-9-10-18-19(13-16)32-12-4-11-31-18)14-33-23-26-21(15-7-8-15)28(27-23)17-5-2-1-3-6-17/h1-3,5-6,9-10,13,15H,4,7-8,11-12,14H2,(H2,24,25,29,30)