[3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] benzoate

Systemtic Name: [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] benzoate Openeye Name: [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-hexahydropyrimidin-4-yl] benzoate CAS Name: benzoic acid [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] benzoate Traditional Name: benzoic acid [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-keto-1-methyl-hexahydropyrimidin-4-yl] ester Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(N(C1=O)C2=NN=C(S2)C3CC3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CN1CCC(N(C1=O)C2=NN=C(S2)C3CC3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C17H18N4O3S/c1-20-10-9-13(24-15(22)12-5-3-2-4-6-12)21(17(20)23)16-19-18-14(25-16)11-7-8-11/h2-6,11,13H,7-10H2,1H3