2-[[5-[(3,4-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[[5-[(3,4-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]-1-piperidino-ethanone Formula: C17H22N4OS2 MolecularWeight: 362.51278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NN=C(S2)SCC(=O)N3CCCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NN=C(S2)SCC(=O)N3CCCCC3)C

InChI

InChI=1S/C17H22N4OS2/c1-12-6-7-14(10-13(12)2)18-16-19-20-17(24-16)23-11-15(22)21-8-4-3-5-9-21/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,18,19)