N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-keto-2-pyrrolidino-ethyl)thio]benzamide Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H24N2O4S/c25-21(24-10-3-4-11-24)15-29-20-7-2-1-6-17(20)22(26)23-16-8-9-18-19(14-16)28-13-5-12-27-18/h1-2,6-9,14H,3-5,10-13,15H2,(H,23,26)