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

Systemtic Name: 3-[[5-[(2,6-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]azepan-2-one Openeye Name: 3-[[5-(2,6-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]azepan-2-one CAS Name: 3-[[5-(2,6-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]-2-azepanone IUPAC Name: 3-[[5-(2,6-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]azepan-2-one Traditional Name: 3-[[5-(2,6-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]azepan-2-one Formula: C16H20N4OS2 MolecularWeight: 348.4862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC2=NN=C(S2)SC3CCCCNC3=O

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC2=NN=C(S2)SC3CCCCNC3=O

InChI

InChI=1S/C16H20N4OS2/c1-10-6-5-7-11(2)13(10)18-15-19-20-16(23-15)22-12-8-3-4-9-17-14(12)21/h5-7,12H,3-4,8-9H2,1-2H3,(H,17,21)(H,18,19)