1-(2,6-dimethylphenyl)-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)thiourea

Systemtic Name: 1-(2,6-dimethylphenyl)-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)thiourea Openeye Name: 1-(2,6-dimethylphenyl)-3-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)thiourea CAS Name: 1-(2,6-dimethylphenyl)-3-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]thiourea IUPAC Name: 1-(2,6-dimethylphenyl)-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)thiourea Traditional Name: 1-(2,6-dimethylphenyl)-3-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)thiourea Formula: C23H30N4O3S2 MolecularWeight: 474.6393

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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