1-(4-tert-butylphenyl)-3-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)thiourea

Systemtic Name: 1-(4-tert-butylphenyl)-3-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)thiourea Openeye Name: 1-(4-tert-butylphenyl)-3-(2-chloro-5-morpholinosulfonyl-phenyl)thiourea CAS Name: 1-(4-tert-butylphenyl)-3-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(4-tert-butylphenyl)-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-(4-tert-butylphenyl)-3-(2-chloro-5-morpholinosulfonyl-phenyl)thiourea Formula: C21H26ClN3O3S2 MolecularWeight: 468.03244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O3S2/c1-21(2,3)15-4-6-16(7-5-15)23-20(29)24-19-14-17(8-9-18(19)22)30(26,27)25-10-12-28-13-11-25/h4-9,14H,10-13H2,1-3H3,(H2,23,24,29)