1-(4-tert-butylphenyl)-3-[5-(3-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]urea

Systemtic Name: 1-(4-tert-butylphenyl)-3-[5-(3-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-(4-tert-butylphenyl)-3-[5-(3-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]urea CAS Name: 1-(4-tert-butylphenyl)-3-[5-(3-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-(4-tert-butylphenyl)-3-[5-(3-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]urea Traditional Name: 1-(4-tert-butylphenyl)-3-(5-m-phenetyl-1,3,4-thiadiazol-2-yl)urea Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=NN=C(S2)NC(=O)NC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NN=C(S2)NC(=O)NC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H24N4O2S/c1-5-27-17-8-6-7-14(13-17)18-24-25-20(28-18)23-19(26)22-16-11-9-15(10-12-16)21(2,3)4/h6-13H,5H2,1-4H3,(H2,22,23,25,26)