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

Systemtic Name: 4-nitro-N-[3-oxidanylidene-3-[[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]amino]propyl]benzamide Openeye Name: N-[3-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-propyl]-4-nitro-benzamide CAS Name: 4-nitro-N-[3-oxo-3-[[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]amino]propyl]benzamide IUPAC Name: N-[3-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-3-keto-propyl]-4-nitro-benzamide Formula: C19H17N5O4S MolecularWeight: 411.43438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N5O4S/c25-16(10-11-20-18(26)14-6-8-15(9-7-14)24(27)28)21-19-23-22-17(29-19)12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,20,26)(H,21,23,25)