3-[[5-[(2-methoxy-5-methyl-phenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]azepan-2-one

Systemtic Name: 3-[[5-[(2-methoxy-5-methyl-phenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]azepan-2-one Openeye Name: 3-[[5-(2-methoxy-5-methyl-anilino)-1,3,4-thiadiazol-2-yl]sulfanyl]azepan-2-one CAS Name: 3-[[5-(2-methoxy-5-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-2-azepanone IUPAC Name: 3-[[5-(2-methoxy-5-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]azepan-2-one Traditional Name: 3-[[5-(2-methoxy-5-methyl-anilino)-1,3,4-thiadiazol-2-yl]thio]azepan-2-one Formula: C16H20N4O2S2 MolecularWeight: 364.4856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O2S2/c1-10-6-7-12(22-2)11(9-10)18-15-19-20-16(24-15)23-13-5-3-4-8-17-14(13)21/h6-7,9,13H,3-5,8H2,1-2H3,(H,17,21)(H,18,19)