N-[[(2S)-butan-2-yl]carbamoyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide

Systemtic Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide CAS Name: N-[[[(2S)-butan-2-yl]amino]-oxomethyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide IUPAC Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)CSC1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)CSC1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C16H22N2O4S/c1-3-11(2)17-16(20)18-15(19)10-23-12-5-6-13-14(9-12)22-8-4-7-21-13/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H2,17,18,19,20)/t11-/m0/s1