2-[[5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-[[2-(1-azepanyl)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]thio]-1-phenyl-ethanone Formula: C18H21N3O2S3 MolecularWeight: 407.57324

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NN=C(S2)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NN=C(S2)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O2S3/c22-15(14-8-4-3-5-9-14)12-24-17-19-20-18(26-17)25-13-16(23)21-10-6-1-2-7-11-21/h3-5,8-9H,1-2,6-7,10-13H2