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

Systemtic Name: 4-(butanoylamino)-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-(butanoylamino)-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]-4-(1-oxobutylamino)benzamide IUPAC Name: 4-(butanoylamino)-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-butyramido-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide Formula: C19H17N5O4S MolecularWeight: 411.43438

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O4S/c1-2-3-16(25)20-14-8-4-12(5-9-14)17(26)21-19-23-22-18(29-19)13-6-10-15(11-7-13)24(27)28/h4-11H,2-3H2,1H3,(H,20,25)(H,21,23,26)