methyl 4-[[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-piperazinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]amino]benzoate Traditional Name: 4-[[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]amino]benzoic acid methyl ester Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC(=NS3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC(=NS3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O3S/c1-29-19(27)16-7-9-17(10-8-16)22-20(28)25-11-13-26(14-12-25)21-23-18(24-30-21)15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,22,28)