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

Systemtic Name: 4-(3-methylbutanoylamino)-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-(3-methylbutanoylamino)-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-[(3-methyl-1-oxobutyl)amino]-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-(3-methylbutanoylamino)-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-(isovalerylamino)-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide Formula: C20H19N5O4S MolecularWeight: 425.46096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O4S/c1-12(2)11-17(26)21-15-7-3-13(4-8-15)18(27)22-20-24-23-19(30-20)14-5-9-16(10-6-14)25(28)29/h3-10,12H,11H2,1-2H3,(H,21,26)(H,22,24,27)