ethyl 4-[2-[[5-[1-[(2,4-dichlorophenyl)carbonylamino]-2-methyl-propyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[[5-[1-[(2,4-dichlorophenyl)carbonylamino]-2-methyl-propyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[[5-[1-[(2,4-dichlorobenzoyl)amino]-2-methyl-propyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[5-[1-[[(2,4-dichlorophenyl)-oxomethyl]amino]-2-methylpropyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[[5-[1-[(2,4-dichlorobenzoyl)amino]-2-methylpropyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[5-[1-[(2,4-dichlorobenzoyl)amino]-2-methyl-propyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C26H29Cl2N5O4S MolecularWeight: 578.51056

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OCC)C(C(C)C)NC(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OCC)C(C(C)C)NC(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C26H29Cl2N5O4S/c1-5-33-23(22(15(3)4)30-24(35)19-12-9-17(27)13-20(19)28)31-32-26(33)38-14-21(34)29-18-10-7-16(8-11-18)25(36)37-6-2/h7-13,15,22H,5-6,14H2,1-4H3,(H,29,34)(H,30,35)