3-nitro-N-[5-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 3-nitro-N-[5-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-[5-[2-(benzylamino)-2-oxo-ethyl]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide CAS Name: 3-nitro-N-[5-[2-oxo-2-[(phenylmethyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-[5-[2-(benzylamino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide Traditional Name: N-[5-[2-(benzylamino)-2-keto-ethyl]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Formula: C18H15N5O4S MolecularWeight: 397.4078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O4S/c24-15(19-11-12-5-2-1-3-6-12)10-16-21-22-18(28-16)20-17(25)13-7-4-8-14(9-13)23(26)27/h1-9H,10-11H2,(H,19,24)(H,20,22,25)