1-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-phenethyl-thiourea; ethanoic acid

Systemtic Name: 1-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-phenethyl-thiourea; ethanoic acid Openeye Name: acetic acid; 1-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]-3-phenethyl-thiourea CAS Name: acetic acid; 1-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-3-phenethylthiourea IUPAC Name: acetic acid; 1-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-phenethylthiourea Traditional Name: acetic acid; 1-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]-3-phenethyl-thiourea Formula: C22H26N4O5S2 MolecularWeight: 490.59564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NCCC3=CC=CC=C3.CC(=O)O

Isomeric SMILES

CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NCCC3=CC=CC=C3.CC(=O)O

InChI

InChI=1S/C20H22N4O3S2.C2H4O2/c1-14-15(2)23-27-19(14)24-29(25,26)18-10-8-17(9-11-18)22-20(28)21-13-12-16-6-4-3-5-7-16;1-2(3)4/h3-11,24H,12-13H2,1-2H3,(H2,21,22,28);1H3,(H,3,4)