methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamothioylamino)butanoate

Systemtic Name: methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamothioylamino)butanoate Openeye Name: methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamothioylamino)butanoate CAS Name: 4-[[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamothioylamino)butanoate Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthiocarbamoylamino)butyric acid methyl ester Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NC1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

COC(=O)CCCNC(=S)NC1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C15H20N2O4S/c1-19-14(18)4-2-7-16-15(22)17-11-5-6-12-13(10-11)21-9-3-8-20-12/h5-6,10H,2-4,7-9H2,1H3,(H2,16,17,22)