1-(azepan-1-yl)-2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(azepan-1-yl)-2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one Openeye Name: 1-(azepan-1-yl)-2-[[5-(2-furylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one CAS Name: 1-(1-azepanyl)-2-[[5-(2-furanylmethylamino)-1,3,4-thiadiazol-2-yl]thio]-1-propanone IUPAC Name: 1-(azepan-1-yl)-2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one Traditional Name: 1-(azepan-1-yl)-2-[[5-(2-furfurylamino)-1,3,4-thiadiazol-2-yl]thio]propan-1-one Formula: C16H22N4O2S2 MolecularWeight: 366.50148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC2=NN=C(S2)NCC3=CC=CO3

Isomeric SMILES

CC(C(=O)N1CCCCCC1)SC2=NN=C(S2)NCC3=CC=CO3

InChI

InChI=1S/C16H22N4O2S2/c1-12(14(21)20-8-4-2-3-5-9-20)23-16-19-18-15(24-16)17-11-13-7-6-10-22-13/h6-7,10,12H,2-5,8-9,11H2,1H3,(H,17,18)