1-(2,6-dimethylphenyl)-3-(4-methyl-2-morpholin-4-ylsulfonyl-phenyl)thiourea

Systemtic Name: 1-(2,6-dimethylphenyl)-3-(4-methyl-2-morpholin-4-ylsulfonyl-phenyl)thiourea Openeye Name: 1-(2,6-dimethylphenyl)-3-(4-methyl-2-morpholinosulfonyl-phenyl)thiourea CAS Name: 1-(2,6-dimethylphenyl)-3-[4-methyl-2-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(2,6-dimethylphenyl)-3-(4-methyl-2-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-(2,6-dimethylphenyl)-3-(4-methyl-2-morpholinosulfonyl-phenyl)thiourea Formula: C20H25N3O3S2 MolecularWeight: 419.5608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NC2=C(C=CC=C2C)C)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NC2=C(C=CC=C2C)C)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H25N3O3S2/c1-14-7-8-17(18(13-14)28(24,25)23-9-11-26-12-10-23)21-20(27)22-19-15(2)5-4-6-16(19)3/h4-8,13H,9-12H2,1-3H3,(H2,21,22,27)