1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea

Systemtic Name: 1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Openeye Name: 1-[4-[4-(1,1-dimethylpropyl)phenoxy]phenyl]-3-(4-morpholinosulfonylphenyl)thiourea CAS Name: 1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-3-[4-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-[4-(4-tert-amylphenoxy)phenyl]-3-(4-morpholinosulfonylphenyl)thiourea Formula: C28H33N3O4S2 MolecularWeight: 539.70932

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C28H33N3O4S2/c1-4-28(2,3)21-5-11-24(12-6-21)35-25-13-7-22(8-14-25)29-27(36)30-23-9-15-26(16-10-23)37(32,33)31-17-19-34-20-18-31/h5-16H,4,17-20H2,1-3H3,(H2,29,30,36)