4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoylamino]-N,N-dimethyl-benzamide

Systemtic Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoylamino]-N,N-dimethyl-benzamide Openeye Name: 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]amino]-N,N-dimethyl-benzamide CAS Name: 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-oxoethyl]amino]-N,N-dimethylbenzamide IUPAC Name: 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]amino]-N,N-dimethylbenzamide Traditional Name: 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetyl]amino]-N,N-dimethyl-benzamide Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H22N2O4S/c1-22(2)20(24)14-4-6-15(7-5-14)21-19(23)13-27-16-8-9-17-18(12-16)26-11-3-10-25-17/h4-9,12H,3,10-11,13H2,1-2H3,(H,21,23)