methyl 4-chloranyl-2-[(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)carbamoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-2-[(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)carbamoylamino]benzoate Openeye Name: methyl 4-chloro-2-[[5-(1-piperidyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]benzoate CAS Name: 4-chloro-2-[[oxo-[[5-(1-piperidinyl)-1,3,4-thiadiazol-2-yl]amino]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-[(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)carbamoylamino]benzoate Traditional Name: 4-chloro-2-[(5-piperidino-1,3,4-thiadiazol-2-yl)carbamoylamino]benzoic acid methyl ester Formula: C16H18ClN5O3S MolecularWeight: 395.86382

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)NC2=NN=C(S2)N3CCCCC3

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)NC2=NN=C(S2)N3CCCCC3

InChI

InChI=1S/C16H18ClN5O3S/c1-25-13(23)11-6-5-10(17)9-12(11)18-14(24)19-15-20-21-16(26-15)22-7-3-2-4-8-22/h5-6,9H,2-4,7-8H2,1H3,(H2,18,19,20,24)