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

Systemtic Name: N-[3-methyl-1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide Openeye Name: N-[2-methyl-1-[[5-(m-tolyl)-1,3,4-thiadiazol-2-yl]carbamoyl]propyl]-4-nitro-benzamide CAS Name: N-[3-methyl-1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxobutan-2-yl]-4-nitrobenzamide IUPAC Name: N-[3-methyl-1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxobutan-2-yl]-4-nitrobenzamide Traditional Name: N-[2-methyl-1-[[5-(m-tolyl)-1,3,4-thiadiazol-2-yl]carbamoyl]propyl]-4-nitro-benzamide Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O4S/c1-12(2)17(22-18(27)14-7-9-16(10-8-14)26(29)30)19(28)23-21-25-24-20(31-21)15-6-4-5-13(3)11-15/h4-12,17H,1-3H3,(H,22,27)(H,23,25,28)