1-(2-propan-2-ylphenyl)-3-[[4-(thiophen-2-ylsulfonylamino)phenyl]carbonylamino]thiourea

Systemtic Name: 1-(2-propan-2-ylphenyl)-3-[[4-(thiophen-2-ylsulfonylamino)phenyl]carbonylamino]thiourea Openeye Name: 1-(2-isopropylphenyl)-3-[[4-(2-thienylsulfonylamino)benzoyl]amino]thiourea CAS Name: 1-[[oxo-[4-(thiophen-2-ylsulfonylamino)phenyl]methyl]amino]-3-(2-propan-2-ylphenyl)thiourea IUPAC Name: 1-(2-propan-2-ylphenyl)-3-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]thiourea Traditional Name: 1-o-cumenyl-3-[[4-(2-thienylsulfonylamino)benzoyl]amino]thiourea Formula: C21H22N4O3S3 MolecularWeight: 474.61938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=S)NNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=S)NNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H22N4O3S3/c1-14(2)17-6-3-4-7-18(17)22-21(29)24-23-20(26)15-9-11-16(12-10-15)25-31(27,28)19-8-5-13-30-19/h3-14,25H,1-2H3,(H,23,26)(H2,22,24,29)