1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone

Systemtic Name: 1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-[[5-(isopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone IUPAC Name: 1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-2-[[5-(isopropylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone Formula: C19H24N4O3S2 MolecularWeight: 420.54886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NN=C(S1)SCC(=O)N2CCCC2C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(C)NC1=NN=C(S1)SCC(=O)N2CCC[C@H]2C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C19H24N4O3S2/c1-12(2)20-18-21-22-19(28-18)27-11-17(24)23-7-3-4-14(23)13-5-6-15-16(10-13)26-9-8-25-15/h5-6,10,12,14H,3-4,7-9,11H2,1-2H3,(H,20,21)/t14-/m0/s1