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

Systemtic Name: N-[5-[2-[(3-bromophenyl)carbonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[5-[2-[(3-bromobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-4-methoxy-3-nitro-benzamide CAS Name: N-[5-[2-[[(3-bromophenyl)-oxomethyl]amino]ethyl]-1,3,4-thiadiazol-2-yl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[5-[2-[(3-bromobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[5-[2-[(3-bromobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-4-methoxy-3-nitro-benzamide Formula: C19H16BrN5O5S MolecularWeight: 506.32984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)CCNC(=O)C3=CC(=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)CCNC(=O)C3=CC(=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H16BrN5O5S/c1-30-15-6-5-12(10-14(15)25(28)29)18(27)22-19-24-23-16(31-19)7-8-21-17(26)11-3-2-4-13(20)9-11/h2-6,9-10H,7-8H2,1H3,(H,21,26)(H,22,24,27)