1-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-3-[(4-sulfamoylphenyl)methyl]thiourea

Systemtic Name: 1-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-3-[(4-sulfamoylphenyl)methyl]thiourea Openeye Name: 1-(2-chloro-5-morpholinosulfonyl-phenyl)-3-[(4-sulfamoylphenyl)methyl]thiourea CAS Name: 1-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-3-[(4-sulfamoylphenyl)methyl]thiourea IUPAC Name: 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[(4-sulfamoylphenyl)methyl]thiourea Traditional Name: 1-(2-chloro-5-morpholinosulfonyl-phenyl)-3-(4-sulfamoylbenzyl)thiourea Formula: C18H21ClN4O5S3 MolecularWeight: 505.03114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=S)NCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=S)NCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C18H21ClN4O5S3/c19-16-6-5-15(31(26,27)23-7-9-28-10-8-23)11-17(16)22-18(29)21-12-13-1-3-14(4-2-13)30(20,24)25/h1-6,11H,7-10,12H2,(H2,20,24,25)(H2,21,22,29)