[5-[(3-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl 3-tert-butylbenzoate

Systemtic Name: [5-[(3-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl 3-tert-butylbenzoate Openeye Name: [5-[(3-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl 3-tert-butylbenzoate CAS Name: 3-tert-butylbenzoic acid [[5-[[(3-fluoroanilino)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl ester IUPAC Name: [5-[(3-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl 3-tert-butylbenzoate Traditional Name: 3-tert-butylbenzoic acid [[5-[(3-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]thio]methyl ester Formula: C21H21FN4O3S2 MolecularWeight: 460.544843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC(=C1)C(=O)OCSC2=NN=C(S2)NC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CC(C)(C)C1=CC=CC(=C1)C(=O)OCSC2=NN=C(S2)NC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C21H21FN4O3S2/c1-21(2,3)14-7-4-6-13(10-14)17(27)29-12-30-20-26-25-19(31-20)24-18(28)23-16-9-5-8-15(22)11-16/h4-11H,12H2,1-3H3,(H2,23,24,25,28)