N-[[3-(butylcarbamoyl)phenyl]carbamothioyl]-2-hexoxy-benzamide

Systemtic Name: N-[[3-(butylcarbamoyl)phenyl]carbamothioyl]-2-hexoxy-benzamide Openeye Name: N-[[3-(butylcarbamoyl)phenyl]carbamothioyl]-2-hexoxy-benzamide CAS Name: N-[[3-[butylamino(oxo)methyl]anilino]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: N-[[3-(butylcarbamoyl)phenyl]carbamothioyl]-2-hexoxybenzamide Traditional Name: N-[[3-(butylcarbamoyl)phenyl]thiocarbamoyl]-2-hexoxy-benzamide Formula: C25H33N3O3S MolecularWeight: 455.61282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCCCC

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCCCC

InChI

InChI=1S/C25H33N3O3S/c1-3-5-7-10-17-31-22-15-9-8-14-21(22)24(30)28-25(32)27-20-13-11-12-19(18-20)23(29)26-16-6-4-2/h8-9,11-15,18H,3-7,10,16-17H2,1-2H3,(H,26,29)(H2,27,28,30,32)