1-(2-morpholin-4-ium-4-ylethyl)-3-[4-(quinoxalin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[4-(quinoxalin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[4-(quinoxalin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[2-(4-morpholin-4-iumyl)ethyl]-3-[4-(2-quinoxalinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[4-(quinoxalin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[4-(quinoxalin-2-ylsulfamoyl)phenyl]thiourea Formula: C21H25N6O3S2+ MolecularWeight: 473.5916

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3

Isomeric SMILES

C1COCC[NH+]1CCNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C21H24N6O3S2/c28-32(29,26-20-15-23-18-3-1-2-4-19(18)25-20)17-7-5-16(6-8-17)24-21(31)22-9-10-27-11-13-30-14-12-27/h1-8,15H,9-14H2,(H,25,26)(H2,22,24,31)/p+1