1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)butanoylamino]-3-ethyl-thiourea

Systemtic Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)butanoylamino]-3-ethyl-thiourea Openeye Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)butanoylamino]-3-ethyl-thiourea CAS Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-1-oxobutyl]amino]-3-ethylthiourea IUPAC Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)butanoylamino]-3-ethylthiourea Traditional Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)butanoylamino]-3-ethyl-thiourea Formula: C16H24N4O5S2 MolecularWeight: 416.51556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NNC(=O)CCCNS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CCNC(=S)NNC(=O)CCCNS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C16H24N4O5S2/c1-2-17-16(26)20-19-15(21)5-3-8-18-27(22,23)12-6-7-13-14(11-12)25-10-4-9-24-13/h6-7,11,18H,2-5,8-10H2,1H3,(H,19,21)(H2,17,20,26)