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

Systemtic Name: methyl 2-[[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]carbamoylamino]benzoate Openeye Name: methyl 2-[[5-(2-methyl-1-piperidyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]benzoate CAS Name: 2-[[[[5-(2-methyl-1-piperidinyl)-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]carbamoylamino]benzoate Traditional Name: 2-[[5-(2-methylpiperidino)-1,3,4-thiadiazol-2-yl]carbamoylamino]benzoic acid methyl ester Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=NN=C(S2)NC(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1CCCCN1C2=NN=C(S2)NC(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C17H21N5O3S/c1-11-7-5-6-10-22(11)17-21-20-16(26-17)19-15(24)18-13-9-4-3-8-12(13)14(23)25-2/h3-4,8-9,11H,5-7,10H2,1-2H3,(H2,18,19,20,24)