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

Systemtic Name: N-[1-[[5-(4-dimethylaminophenyl)-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-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxo-ethyl]-4-methyl-3-nitro-benzamide CAS Name: N-[1-[[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[1-[[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methyl-3-nitrobenzamide Traditional Name: N-[1-benzyl-2-[[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]amino]-2-keto-ethyl]-4-methyl-3-nitro-benzamide Formula: C27H26N6O4S MolecularWeight: 530.59814

Click to see the large picture

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=C(C=C4)N(C)C)[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=C(C=C4)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C27H26N6O4S/c1-17-9-10-20(16-23(17)33(36)37)24(34)28-22(15-18-7-5-4-6-8-18)25(35)29-27-31-30-26(38-27)19-11-13-21(14-12-19)32(2)3/h4-14,16,22H,15H2,1-3H3,(H,28,34)(H,29,31,35)