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

Systemtic Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-nitro-2-[(phenylmethyl)amino]benzamide Openeye Name: 2-(benzylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-nitro-benzamide CAS Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-nitro-2-[(phenylmethyl)amino]benzamide IUPAC Name: 2-(benzylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-nitrobenzamide Traditional Name: 2-(benzylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-nitro-benzamide Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC=CC=C3

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC=CC=C3

InChI

InChI=1S/C18H17N5O3S/c1-2-16-21-22-18(27-16)20-17(24)14-10-13(23(25)26)8-9-15(14)19-11-12-6-4-3-5-7-12/h3-10,19H,2,11H2,1H3,(H,20,22,24)