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

Systemtic Name: N-[1-[[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-methyl-3-nitro-benzamide Openeye Name: N-[1-benzyl-2-[[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxo-ethyl]-4-methyl-3-nitro-benzamide CAS Name: N-[1-[[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[1-[[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methyl-3-nitrobenzamide Traditional Name: N-[1-benzyl-2-[[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-2-keto-ethyl]-4-methyl-3-nitro-benzamide Formula: C25H20BrN5O4S MolecularWeight: 566.4264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC3=NN=C(S3)C4=CC(=CC=C4)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC3=NN=C(S3)C4=CC(=CC=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C25H20BrN5O4S/c1-15-10-11-17(14-21(15)31(34)35)22(32)27-20(12-16-6-3-2-4-7-16)23(33)28-25-30-29-24(36-25)18-8-5-9-19(26)13-18/h2-11,13-14,20H,12H2,1H3,(H,27,32)(H,28,30,33)