1-[4-[(4-bromophenyl)sulfamoyl]-2-methyl-phenyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-[4-[(4-bromophenyl)sulfamoyl]-2-methyl-phenyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[4-[(4-bromophenyl)sulfamoyl]-2-methyl-phenyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[4-[(4-bromophenyl)sulfamoyl]-2-methylphenyl]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[4-[(4-bromophenyl)sulfamoyl]-2-methylphenyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[4-[(4-bromophenyl)sulfamoyl]-2-methyl-phenyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C20H26BrN4O3S2+ MolecularWeight: 514.47944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)Br)NC(=S)NCC[NH+]3CCOCC3

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)Br)NC(=S)NCC[NH+]3CCOCC3

InChI

InChI=1S/C20H25BrN4O3S2/c1-15-14-18(30(26,27)24-17-4-2-16(21)3-5-17)6-7-19(15)23-20(29)22-8-9-25-10-12-28-13-11-25/h2-7,14,24H,8-13H2,1H3,(H2,22,23,29)/p+1