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

Systemtic Name: 1-(3-methoxyphenyl)-3-[5-[(phenylmethylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-3-(3-methoxyphenyl)urea CAS Name: 1-(3-methoxyphenyl)-3-[5-[(phenylmethylthio)methyl]-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-3-(3-methoxyphenyl)urea Traditional Name: 1-[5-[(benzylthio)methyl]-1,3,4-thiadiazol-2-yl]-3-(3-methoxyphenyl)urea Formula: C18H18N4O2S2 MolecularWeight: 386.49112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)NC2=NN=C(S2)CSCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)NC2=NN=C(S2)CSCC3=CC=CC=C3

InChI

InChI=1S/C18H18N4O2S2/c1-24-15-9-5-8-14(10-15)19-17(23)20-18-22-21-16(26-18)12-25-11-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3,(H2,19,20,22,23)