1-[4-chloranyl-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-[4-chloranyl-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C20H26ClN4O4S2+ MolecularWeight: 486.02784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)NC(=S)NCC[NH+]3CCOCC3)Cl

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)NC(=S)NCC[NH+]3CCOCC3)Cl

InChI

InChI=1S/C20H25ClN4O4S2/c1-28-18-5-3-2-4-17(18)24-31(26,27)19-14-15(6-7-16(19)21)23-20(30)22-8-9-25-10-12-29-13-11-25/h2-7,14,24H,8-13H2,1H3,(H2,22,23,30)/p+1