1-butyl-3-[4-(1-chloranylbutyl)phenyl]sulfonyl-urea; 3-oxidanidyl-6H-quinazolin-3-ium-4-one

Systemtic Name: 1-butyl-3-[4-(1-chloranylbutyl)phenyl]sulfonyl-urea; 3-oxidanidyl-6H-quinazolin-3-ium-4-one Openeye Name: 1-butyl-3-[4-(1-chlorobutyl)phenyl]sulfonyl-urea; 3-oxido-6H-quinazolin-3-ium-4-one CAS Name: 1-butyl-3-[4-(1-chlorobutyl)phenyl]sulfonylurea; 3-oxido-6H-quinazolin-3-ium-4-one IUPAC Name: 1-butyl-3-[4-(1-chlorobutyl)phenyl]sulfonylurea; 3-oxido-6H-quinazolin-3-ium-4-one Traditional Name: 1-butyl-3-[4-(1-chlorobutyl)phenyl]sulfonyl-urea; 3-oxido-6H-quinazolin-3-ium-4-one Formula: C23H29ClN4O5S MolecularWeight: 509.01816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C(CCC)Cl.C1C=CC2=NC=[N+](C(=O)C2=C1)[O-]

Isomeric SMILES

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C(CCC)Cl.C1C=CC2=NC=[N+](C(=O)C2=C1)[O-]

InChI

InChI=1S/C15H23ClN2O3S.C8H6N2O2/c1-3-5-11-17-15(19)18-22(20,21)13-9-7-12(8-10-13)14(16)6-4-2;11-8-6-3-1-2-4-7(6)9-5-10(8)12/h7-10,14H,3-6,11H2,1-2H3,(H2,17,18,19);2-5H,1H2