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

Systemtic Name: (3S)-3-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]azepan-2-one Openeye Name: (3S)-3-[[5-(isopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]azepan-2-one CAS Name: (3S)-3-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]thio]-2-azepanone IUPAC Name: (3S)-3-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]azepan-2-one Traditional Name: (3S)-3-[[5-(isopropylamino)-1,3,4-thiadiazol-2-yl]thio]azepan-2-one Formula: C11H18N4OS2 MolecularWeight: 286.41682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)NC1=NN=C(S1)S[C@H]2CCCCNC2=O

InChI

InChI=1S/C11H18N4OS2/c1-7(2)13-10-14-15-11(18-10)17-8-5-3-4-6-12-9(8)16/h7-8H,3-6H2,1-2H3,(H,12,16)(H,13,14)/t8-/m0/s1