methyl 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamothioylamino)hexanoate

Systemtic Name: methyl 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamothioylamino)hexanoate Openeye Name: methyl 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamothioylamino)hexanoate CAS Name: 6-[[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamothioylamino)hexanoate Traditional Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthiocarbamoylamino)hexanoic acid methyl ester Formula: C17H24N2O4S MolecularWeight: 352.44846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O4S/c1-21-16(20)6-3-2-4-9-18-17(24)19-13-7-8-14-15(12-13)23-11-5-10-22-14/h7-8,12H,2-6,9-11H2,1H3,(H2,18,19,24)