N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]-3-[(4-oxidanylidene-4-phenyl-butanoyl)amino]benzamide

Systemtic Name: N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]-3-[(4-oxidanylidene-4-phenyl-butanoyl)amino]benzamide Openeye Name: N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]-3-[(4-oxo-4-phenyl-butanoyl)amino]benzamide CAS Name: 3-[(1,4-dioxo-4-phenylbutyl)amino]-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]-3-[(4-oxo-4-phenylbutanoyl)amino]benzamide Traditional Name: 3-[(4-keto-4-phenyl-butanoyl)amino]-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide Formula: C25H19N5O5S MolecularWeight: 501.51386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CCC(=O)NC2=CC=CC(=C2)C(=O)NC3=NN=C(S3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CCC(=O)NC2=CC=CC(=C2)C(=O)NC3=NN=C(S3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H19N5O5S/c31-21(16-5-2-1-3-6-16)13-14-22(32)26-19-8-4-7-18(15-19)23(33)27-25-29-28-24(36-25)17-9-11-20(12-10-17)30(34)35/h1-12,15H,13-14H2,(H,26,32)(H,27,29,33)