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

Systemtic Name: 3-bromanyl-N-[2-[5-[(4-nitrophenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide Openeye Name: 3-bromo-N-[2-[5-[(4-nitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide CAS Name: 3-bromo-N-[2-[5-[[(4-nitrophenyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide IUPAC Name: 3-bromo-N-[2-[5-[(4-nitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide Traditional Name: 3-bromo-N-[2-[5-[(4-nitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide Formula: C18H14BrN5O4S MolecularWeight: 476.30386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C(=O)NCCC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)C(=O)NCCC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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