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

Systemtic Name: 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide Openeye Name: 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-[(1-cyclopropyl-2-imidazolyl)thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-[(1-cyclopropylimidazol-2-yl)thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NC=CN3C4CC4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NC=CN3C4CC4)OC1

InChI

InChI=1S/C17H19N3O3S/c21-16(11-24-17-18-6-7-20(17)13-3-4-13)19-12-2-5-14-15(10-12)23-9-1-8-22-14/h2,5-7,10,13H,1,3-4,8-9,11H2,(H,19,21)