1-[5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea

Systemtic Name: 1-[5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea Openeye Name: 1-[5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea CAS Name: 1-[5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea IUPAC Name: 1-[5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea Traditional Name: 1-[5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)NC3=CC(=C(C=C3)C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)NC3=CC(=C(C=C3)C)C

InChI

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