ethyl 4-[[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carbonyl]amino]benzoate CAS Name: 4-[[[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carbonyl]amino]benzoate Traditional Name: 4-[[4-[3-(4-chlorobenzyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carbonyl]amino]benzoic acid ethyl ester Formula: C24H26ClN5O3S MolecularWeight: 500.01294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C3=NC(=NS3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C3=NC(=NS3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H26ClN5O3S/c1-2-33-22(31)18-6-10-20(11-7-18)26-23(32)29-12-3-13-30(15-14-29)24-27-21(28-34-24)16-17-4-8-19(25)9-5-17/h4-11H,2-3,12-16H2,1H3,(H,26,32)