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

Systemtic Name: 1-butyl-3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]thiourea Openeye Name: 1-butyl-3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]thiourea CAS Name: 1-butyl-3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]thiourea IUPAC Name: 1-butyl-3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]thiourea Traditional Name: 1-butyl-3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]thiourea Formula: C19H23N3O4S2 MolecularWeight: 421.53362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4S2/c1-2-3-10-20-19(27)21-14-4-6-15(7-5-14)22-28(23,24)16-8-9-17-18(13-16)26-12-11-25-17/h4-9,13,22H,2-3,10-12H2,1H3,(H2,20,21,27)