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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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