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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O4S/c1-4-14(3)18(23-19(28)15-8-6-10-17(12-15)27(30)31)20(29)24-22-26-25-21(32-22)16-9-5-7-13(2)11-16/h5-12,14,18H,4H2,1-3H3,(H,23,28)(H,24,26,29)