3-[(4-oxidanylpiperidin-1-yl)methyl]-5-[(4-phenoxyphenyl)amino]-1,3,4-thiadiazole-2-thione

Systemtic Name: 3-[(4-oxidanylpiperidin-1-yl)methyl]-5-[(4-phenoxyphenyl)amino]-1,3,4-thiadiazole-2-thione Openeye Name: 3-[(4-hydroxy-1-piperidyl)methyl]-5-(4-phenoxyanilino)-1,3,4-thiadiazole-2-thione CAS Name: 3-[(4-hydroxy-1-piperidinyl)methyl]-5-(4-phenoxyanilino)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[(4-hydroxypiperidin-1-yl)methyl]-5-(4-phenoxyanilino)-1,3,4-thiadiazole-2-thione Traditional Name: 3-[(4-hydroxypiperidino)methyl]-5-(4-phenoxyanilino)-1,3,4-thiadiazole-2-thione Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)CN2C(=S)SC(=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1O)CN2C(=S)SC(=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C20H22N4O2S2/c25-16-10-12-23(13-11-16)14-24-20(27)28-19(22-24)21-15-6-8-18(9-7-15)26-17-4-2-1-3-5-17/h1-9,16,25H,10-14H2,(H,21,22)