1-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)propanoylamino]-3-phenyl-thiourea

Systemtic Name: 1-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)propanoylamino]-3-phenyl-thiourea Openeye Name: 1-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)propanoylamino]-3-phenyl-thiourea CAS Name: 1-[[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-1-oxopropyl]amino]-3-phenylthiourea IUPAC Name: 1-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)propanoylamino]-3-phenylthiourea Traditional Name: 1-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)propanoylamino]-3-phenyl-thiourea Formula: C18H20N4O5S2 MolecularWeight: 436.5052

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCCC(=O)NNC(=S)NC3=CC=CC=C3

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCCC(=O)NNC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C18H20N4O5S2/c23-17(21-22-18(28)20-13-4-2-1-3-5-13)8-9-19-29(24,25)14-6-7-15-16(12-14)27-11-10-26-15/h1-7,12,19H,8-11H2,(H,21,23)(H2,20,22,28)