1-(3-ethanoylphenyl)-3-[(4-sulfamoylphenyl)methyl]thiourea

Systemtic Name: 1-(3-ethanoylphenyl)-3-[(4-sulfamoylphenyl)methyl]thiourea Openeye Name: 1-(3-acetylphenyl)-3-[(4-sulfamoylphenyl)methyl]thiourea CAS Name: 1-(3-acetylphenyl)-3-[(4-sulfamoylphenyl)methyl]thiourea IUPAC Name: 1-(3-acetylphenyl)-3-[(4-sulfamoylphenyl)methyl]thiourea Traditional Name: 1-(3-acetylphenyl)-3-(4-sulfamoylbenzyl)thiourea Formula: C16H17N3O3S2 MolecularWeight: 363.45448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C16H17N3O3S2/c1-11(20)13-3-2-4-14(9-13)19-16(23)18-10-12-5-7-15(8-6-12)24(17,21)22/h2-9H,10H2,1H3,(H2,17,21,22)(H2,18,19,23)