methyl 4-[2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3CC3)N4CCCCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3CC3)N4CCCCC4

InChI

InChI=1S/C20H25N5O3S/c1-28-18(27)14-5-7-15(8-6-14)21-17(26)13-29-20-23-22-19(25(20)16-9-10-16)24-11-3-2-4-12-24/h5-8,16H,2-4,9-13H2,1H3,(H,21,26)