4-heptyl-N-[5-(4-heptylphenyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 4-heptyl-N-[5-(4-heptylphenyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-heptyl-N-[5-(4-heptylphenyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-heptyl-N-[5-(4-heptylphenyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-heptyl-N-[5-(4-heptylphenyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-heptyl-N-[5-(4-heptylphenyl)-1,3,4-thiadiazol-2-yl]benzamide Formula: C29H39N3OS MolecularWeight: 477.70446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)CCCCCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)CCCCCCC

InChI

InChI=1S/C29H39N3OS/c1-3-5-7-9-11-13-23-15-19-25(20-16-23)27(33)30-29-32-31-28(34-29)26-21-17-24(18-22-26)14-12-10-8-6-4-2/h15-22H,3-14H2,1-2H3,(H,30,32,33)