3,3-dimethyl-5-oxidanylidene-5-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanoate

Systemtic Name: 3,3-dimethyl-5-oxidanylidene-5-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanoate Openeye Name: 3,3-dimethyl-5-oxo-5-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanoate CAS Name: 3,3-dimethyl-5-oxo-5-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-piperazinyl]pentanoate IUPAC Name: 3,3-dimethyl-5-oxo-5-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanoate Traditional Name: 5-keto-3,3-dimethyl-5-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazino]valerate Formula: C19H23N4O3S- MolecularWeight: 387.47592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)N1CCN(CC1)C2=NC(=NS2)C3=CC=CC=C3)CC(=O)[O-]

Isomeric SMILES

CC(C)(CC(=O)N1CCN(CC1)C2=NC(=NS2)C3=CC=CC=C3)CC(=O)[O-]

InChI

InChI=1S/C19H24N4O3S/c1-19(2,13-16(25)26)12-15(24)22-8-10-23(11-9-22)18-20-17(21-27-18)14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3,(H,25,26)/p-1