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

Systemtic Name: 1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]-3-(4-fluorophenyl)thiourea Openeye Name: 1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]-3-(4-fluorophenyl)thiourea CAS Name: 1-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-1-oxopropyl]amino]-3-(4-fluorophenyl)thiourea IUPAC Name: 1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]-3-(4-fluorophenyl)thiourea Traditional Name: 1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]-3-(4-fluorophenyl)thiourea Formula: C19H21FN4O5S2 MolecularWeight: 468.522243

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)NNC(=S)NC3=CC=C(C=C3)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)NNC(=S)NC3=CC=C(C=C3)F)OC1

InChI

InChI=1S/C19H21FN4O5S2/c20-13-2-4-14(5-3-13)22-19(30)24-23-18(25)8-9-21-31(26,27)15-6-7-16-17(12-15)29-11-1-10-28-16/h2-7,12,21H,1,8-11H2,(H,23,25)(H2,22,24,30)