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

Systemtic Name: 4-methyl-N-[1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: 4-methyl-N-[1-methyl-2-[[5-(m-tolyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: 4-methyl-N-[1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: N-[2-keto-1-methyl-2-[[5-(m-tolyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]-4-methyl-3-nitro-benzamide Formula: C20H19N5O4S MolecularWeight: 425.46096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(C)C(=O)NC2=NN=C(S2)C3=CC(=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(C)C(=O)NC2=NN=C(S2)C3=CC(=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O4S/c1-11-5-4-6-15(9-11)19-23-24-20(30-19)22-17(26)13(3)21-18(27)14-8-7-12(2)16(10-14)25(28)29/h4-10,13H,1-3H3,(H,21,27)(H,22,24,26)