N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-(1,3,4-thiadiazol-2-ylthio)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(1,3,4-thiadiazol-2-ylthio)acetamide Formula: C16H19ClN4O3S3 MolecularWeight: 446.99506

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NN=CS3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NN=CS3

InChI

InChI=1S/C16H19ClN4O3S3/c17-13-6-5-12(27(23,24)21-7-3-1-2-4-8-21)9-14(13)19-15(22)10-25-16-20-18-11-26-16/h5-6,9,11H,1-4,7-8,10H2,(H,19,22)