N-[1-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[1-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]-4-methyl-3-nitro-benzamide Openeye Name: N-[1-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2-methyl-butyl]-4-methyl-3-nitro-benzamide CAS Name: N-[1-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[1-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-4-methyl-3-nitrobenzamide Traditional Name: N-[1-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2-methyl-butyl]-4-methyl-3-nitro-benzamide Formula: C22H22BrN5O4S MolecularWeight: 532.41018

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC=C(C=C2)Br)NC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC=C(C=C2)Br)NC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H22BrN5O4S/c1-4-12(2)18(24-19(29)15-6-5-13(3)17(11-15)28(31)32)20(30)25-22-27-26-21(33-22)14-7-9-16(23)10-8-14/h5-12,18H,4H2,1-3H3,(H,24,29)(H,25,27,30)