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

Systemtic Name: 3-nitro-N-[5-(4-phenylbutylamino)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 3-nitro-N-[5-(4-phenylbutylamino)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 3-nitro-N-[5-(4-phenylbutylamino)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3-nitro-N-[5-(4-phenylbutylamino)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 3-nitro-N-[5-(4-phenylbutylamino)-1,3,4-thiadiazol-2-yl]benzamide Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCNC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCCNC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O3S/c25-17(15-10-6-11-16(13-15)24(26)27)21-19-23-22-18(28-19)20-12-5-4-9-14-7-2-1-3-8-14/h1-3,6-8,10-11,13H,4-5,9,12H2,(H,20,22)(H,21,23,25)