1-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-3-(2-cyclohexylpyrazol-3-yl)thiourea

Systemtic Name: 1-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-3-(2-cyclohexylpyrazol-3-yl)thiourea Openeye Name: 1-(2-chloro-5-morpholinosulfonyl-phenyl)-3-(2-cyclohexylpyrazol-3-yl)thiourea CAS Name: 1-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-3-(2-cyclohexyl-3-pyrazolyl)thiourea IUPAC Name: 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(2-cyclohexylpyrazol-3-yl)thiourea Traditional Name: 1-(2-chloro-5-morpholinosulfonyl-phenyl)-3-(2-cyclohexylpyrazol-3-yl)thiourea Formula: C20H26ClN5O3S2 MolecularWeight: 484.03514

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=CC=N2)NC(=S)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl

Isomeric SMILES

C1CCC(CC1)N2C(=CC=N2)NC(=S)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl

InChI

InChI=1S/C20H26ClN5O3S2/c21-17-7-6-16(31(27,28)25-10-12-29-13-11-25)14-18(17)23-20(30)24-19-8-9-22-26(19)15-4-2-1-3-5-15/h6-9,14-15H,1-5,10-13H2,(H2,23,24,30)