ethyl 4-[[3-methyl-1-oxidanylidene-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]carbamoylamino]benzoate

Systemtic Name: ethyl 4-[[3-methyl-1-oxidanylidene-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]carbamoylamino]benzoate Openeye Name: ethyl 4-[[2-methyl-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]propyl]carbamoylamino]benzoate CAS Name: 4-[[[[3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]carbamoylamino]benzoate Traditional Name: 4-[[2-methyl-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]propyl]carbamoylamino]benzoic acid ethyl ester Formula: C23H25N5O4S MolecularWeight: 467.5407

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC(C(C)C)C(=O)NC2=NN=C(S2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC(C(C)C)C(=O)NC2=NN=C(S2)C3=CC=CC=C3

InChI

InChI=1S/C23H25N5O4S/c1-4-32-21(30)16-10-12-17(13-11-16)24-22(31)25-18(14(2)3)19(29)26-23-28-27-20(33-23)15-8-6-5-7-9-15/h5-14,18H,4H2,1-3H3,(H2,24,25,31)(H,26,28,29)