N-cyclopropyl-N-[5-[1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide

Systemtic Name: N-cyclopropyl-N-[5-[1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide Openeye Name: N-cyclopropyl-N-[5-[1-(4-fluorobenzoyl)-2-oxo-azepan-3-yl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide CAS Name: N-cyclopropyl-N-[5-[[1-[(4-fluorophenyl)-oxomethyl]-2-oxo-3-azepanyl]thio]-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: N-cyclopropyl-N-[5-[1-(4-fluorobenzoyl)-2-oxoazepan-3-yl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide Traditional Name: N-cyclopropyl-N-[5-[[1-(4-fluorobenzoyl)-2-keto-azepan-3-yl]thio]-1,3,4-thiadiazol-2-yl]propionamide Formula: C21H23FN4O3S2 MolecularWeight: 462.560723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1CC1)C2=NN=C(S2)SC3CCCCN(C3=O)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCC(=O)N(C1CC1)C2=NN=C(S2)SC3CCCCN(C3=O)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H23FN4O3S2/c1-2-17(27)26(15-10-11-15)20-23-24-21(31-20)30-16-5-3-4-12-25(19(16)29)18(28)13-6-8-14(22)9-7-13/h6-9,15-16H,2-5,10-12H2,1H3