3-[[5-(butan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]azepan-2-one

Systemtic Name: 3-[[5-(butan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]azepan-2-one Openeye Name: 3-[[5-(sec-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]azepan-2-one CAS Name: 3-[[5-(butan-2-ylamino)-1,3,4-thiadiazol-2-yl]thio]-2-azepanone IUPAC Name: 3-[[5-(butan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]azepan-2-one Traditional Name: 3-[[5-(sec-butylamino)-1,3,4-thiadiazol-2-yl]thio]azepan-2-one Formula: C12H20N4OS2 MolecularWeight: 300.4434

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NN=C(S1)SC2CCCCNC2=O

Isomeric SMILES

CCC(C)NC1=NN=C(S1)SC2CCCCNC2=O

InChI

InChI=1S/C12H20N4OS2/c1-3-8(2)14-11-15-16-12(19-11)18-9-6-4-5-7-13-10(9)17/h8-9H,3-7H2,1-2H3,(H,13,17)(H,14,15)