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

Systemtic Name: 4-methyl-N-[3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-methyl-N-[2-methyl-1-[[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]carbamoyl]propyl]-3-nitro-benzamide CAS Name: 4-methyl-N-[3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-methyl-N-[2-methyl-1-[[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]carbamoyl]propyl]-3-nitro-benzamide Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C(C(C)C)NC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C(C(C)C)NC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O4S/c1-12(2)18(23-19(28)16-10-7-14(4)17(11-16)27(30)31)20(29)24-22-26-25-21(32-22)15-8-5-13(3)6-9-15/h5-12,18H,1-4H3,(H,23,28)(H,24,26,29)