1-(3,5-dimethylphenyl)-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)thiourea

Systemtic Name: 1-(3,5-dimethylphenyl)-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)thiourea Openeye Name: 1-(3,5-dimethylphenyl)-3-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)thiourea CAS Name: 1-(3,5-dimethylphenyl)-3-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]thiourea IUPAC Name: 1-(3,5-dimethylphenyl)-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)thiourea Traditional Name: 1-(3,5-dimethylphenyl)-3-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)thiourea Formula: C23H30N4O3S2 MolecularWeight: 474.6393

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4)C

InChI

InChI=1S/C23H30N4O3S2/c1-17-13-18(2)15-19(14-17)24-23(31)25-21-16-20(5-6-22(21)26-7-3-4-8-26)32(28,29)27-9-11-30-12-10-27/h5-6,13-16H,3-4,7-12H2,1-2H3,(H2,24,25,31)