N-[5-[2-[(3-bromophenyl)carbonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide

Systemtic Name: N-[5-[2-[(3-bromophenyl)carbonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Openeye Name: N-[5-[2-[(3-bromobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide CAS Name: N-[5-[2-[[(3-bromophenyl)-oxomethyl]amino]ethyl]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide IUPAC Name: N-[5-[2-[(3-bromobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide Traditional Name: N-[5-[2-[(3-bromobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Formula: C18H14BrN5O4S MolecularWeight: 476.30386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrN5O4S/c19-13-5-1-3-11(9-13)16(25)20-8-7-15-22-23-18(29-15)21-17(26)12-4-2-6-14(10-12)24(27)28/h1-6,9-10H,7-8H2,(H,20,25)(H,21,23,26)