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

Systemtic Name: 1-[5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-(3-methoxyphenyl)urea Openeye Name: 1-[5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-(3-methoxyphenyl)urea CAS Name: 1-[5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-(3-methoxyphenyl)urea IUPAC Name: 1-[5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-(3-methoxyphenyl)urea Traditional Name: 1-[5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-(3-methoxyphenyl)urea Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S/c1-3-4-12-27-16-10-8-14(9-11-16)18-23-24-20(28-18)22-19(25)21-15-6-5-7-17(13-15)26-2/h5-11,13H,3-4,12H2,1-2H3,(H2,21,22,24,25)