1-[5-[(2-butan-2-ylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(3-methoxyphenyl)urea

Systemtic Name: 1-[5-[(2-butan-2-ylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(3-methoxyphenyl)urea Openeye Name: 1-(3-methoxyphenyl)-3-[5-[(2-sec-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea CAS Name: 1-[5-[(2-butan-2-ylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(3-methoxyphenyl)urea IUPAC Name: 1-[5-[(2-butan-2-ylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(3-methoxyphenyl)urea Traditional Name: 1-(3-methoxyphenyl)-3-[5-[(2-sec-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCC2=NN=C(S2)NC(=O)NC3=CC(=CC=C3)OC

Isomeric SMILES

CCC(C)C1=CC=CC=C1OCC2=NN=C(S2)NC(=O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H24N4O3S/c1-4-14(2)17-10-5-6-11-18(17)28-13-19-24-25-21(29-19)23-20(26)22-15-8-7-9-16(12-15)27-3/h5-12,14H,4,13H2,1-3H3,(H2,22,23,25,26)