2-[[4-(butanoylamino)phenyl]carbonylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 2-[[4-(butanoylamino)phenyl]carbonylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 2-[[4-(butanoylamino)benzoyl]amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[oxo-[4-(1-oxobutylamino)phenyl]methyl]amino]benzamide IUPAC Name: 2-[[4-(butanoylamino)benzoyl]amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 2-[(4-butyramidobenzoyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC3=NN=C(S3)CC

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC3=NN=C(S3)CC

InChI

InChI=1S/C22H23N5O3S/c1-3-7-18(28)23-15-12-10-14(11-13-15)20(29)24-17-9-6-5-8-16(17)21(30)25-22-27-26-19(4-2)31-22/h5-6,8-13H,3-4,7H2,1-2H3,(H,23,28)(H,24,29)(H,25,27,30)