ethyl 4-[[4-oxidanylidene-4-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[4-oxidanylidene-4-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butanoyl]amino]benzoate Openeye Name: ethyl 4-[[4-oxo-4-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butanoyl]amino]benzoate CAS Name: 4-[[1,4-dioxo-4-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-oxo-4-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butanoyl]amino]benzoate Traditional Name: 4-[[4-keto-4-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butanoyl]amino]benzoic acid ethyl ester Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(S1)NC(=O)CCC(=O)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCC1=NN=C(S1)NC(=O)CCC(=O)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C18H22N4O4S/c1-3-5-16-21-22-18(27-16)20-15(24)11-10-14(23)19-13-8-6-12(7-9-13)17(25)26-4-2/h6-9H,3-5,10-11H2,1-2H3,(H,19,23)(H,20,22,24)