N-[3-(2-oxidanylidene-2-thiomorpholin-4-yl-ethyl)-1,2,4-thiadiazol-5-yl]-4-propyl-benzenesulfonamide

Systemtic Name: N-[3-(2-oxidanylidene-2-thiomorpholin-4-yl-ethyl)-1,2,4-thiadiazol-5-yl]-4-propyl-benzenesulfonamide Openeye Name: N-[3-(2-oxo-2-thiomorpholino-ethyl)-1,2,4-thiadiazol-5-yl]-4-propyl-benzenesulfonamide CAS Name: N-[3-(2-oxo-2-thiomorpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide IUPAC Name: N-[3-(2-oxo-2-thiomorpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide Traditional Name: N-[3-(2-keto-2-thiomorpholino-ethyl)-1,2,4-thiadiazol-5-yl]-4-propyl-benzenesulfonamide Formula: C17H22N4O3S3 MolecularWeight: 426.57658

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=NS2)CC(=O)N3CCSCC3

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=NS2)CC(=O)N3CCSCC3

InChI

InChI=1S/C17H22N4O3S3/c1-2-3-13-4-6-14(7-5-13)27(23,24)20-17-18-15(19-26-17)12-16(22)21-8-10-25-11-9-21/h4-7H,2-3,8-12H2,1H3,(H,18,19,20)