3-[2-[5-(3-methylbutanoylamino)-1,3,4-thiadiazol-2-yl]phenyl]benzoate

Systemtic Name: 3-[2-[5-(3-methylbutanoylamino)-1,3,4-thiadiazol-2-yl]phenyl]benzoate Openeye Name: 3-[2-[5-(3-methylbutanoylamino)-1,3,4-thiadiazol-2-yl]phenyl]benzoate CAS Name: 3-[2-[5-[(3-methyl-1-oxobutyl)amino]-1,3,4-thiadiazol-2-yl]phenyl]benzoate IUPAC Name: 3-[2-[5-(3-methylbutanoylamino)-1,3,4-thiadiazol-2-yl]phenyl]benzoate Traditional Name: 3-[2-[5-(isovalerylamino)-1,3,4-thiadiazol-2-yl]phenyl]benzoate Formula: C20H18N3O3S- MolecularWeight: 380.44022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=NN=C(S1)C2=CC=CC=C2C3=CC(=CC=C3)C(=O)[O-]

Isomeric SMILES

CC(C)CC(=O)NC1=NN=C(S1)C2=CC=CC=C2C3=CC(=CC=C3)C(=O)[O-]

InChI

InChI=1S/C20H19N3O3S/c1-12(2)10-17(24)21-20-23-22-18(27-20)16-9-4-3-8-15(16)13-6-5-7-14(11-13)19(25)26/h3-9,11-12H,10H2,1-2H3,(H,25,26)(H,21,23,24)/p-1