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

Systemtic Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]thiourea CAS Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-3-prop-2-enylthiourea IUPAC Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]thiourea Formula: C18H19N3O4S2 MolecularWeight: 405.49116

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C=CCNC(=S)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H19N3O4S2/c1-2-9-19-18(26)20-13-3-5-14(6-4-13)21-27(22,23)15-7-8-16-17(12-15)25-11-10-24-16/h2-8,12,21H,1,9-11H2,(H2,19,20,26)