4-cyano-N-[5-(undecylamino)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 4-cyano-N-[5-(undecylamino)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-cyano-N-[5-(undecylamino)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-cyano-N-[5-(undecylamino)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-cyano-N-[5-(undecylamino)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-cyano-N-[5-(undecylamino)-1,3,4-thiadiazol-2-yl]benzamide Formula: C21H29N5OS MolecularWeight: 399.55286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCNC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCCCCCCCNC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H29N5OS/c1-2-3-4-5-6-7-8-9-10-15-23-20-25-26-21(28-20)24-19(27)18-13-11-17(16-22)12-14-18/h11-14H,2-10,15H2,1H3,(H,23,25)(H,24,26,27)