3-[[5-[(2,6-diethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]azepan-2-one

Systemtic Name: 3-[[5-[(2,6-diethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]azepan-2-one Openeye Name: 3-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]azepan-2-one CAS Name: 3-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]thio]-2-azepanone IUPAC Name: 3-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]azepan-2-one Traditional Name: 3-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]thio]azepan-2-one Formula: C18H24N4OS2 MolecularWeight: 376.53936

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC2=NN=C(S2)SC3CCCCNC3=O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC2=NN=C(S2)SC3CCCCNC3=O

InChI

InChI=1S/C18H24N4OS2/c1-3-12-8-7-9-13(4-2)15(12)20-17-21-22-18(25-17)24-14-10-5-6-11-19-16(14)23/h7-9,14H,3-6,10-11H2,1-2H3,(H,19,23)(H,20,21)