N-butyl-3-[[4-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]benzamide

Systemtic Name: N-butyl-3-[[4-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]benzamide Openeye Name: N-butyl-3-[(4-isopentyloxybenzoyl)carbamothioylamino]benzamide CAS Name: N-butyl-3-[[[[[4-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butyl-3-[[4-(3-methylbutoxy)benzoyl]carbamothioylamino]benzamide Traditional Name: N-butyl-3-[(4-isoamoxybenzoyl)thiocarbamoylamino]benzamide Formula: C24H31N3O3S MolecularWeight: 441.58624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCCC(C)C

Isomeric SMILES

CCCCNC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCCC(C)C

InChI

InChI=1S/C24H31N3O3S/c1-4-5-14-25-22(28)19-7-6-8-20(16-19)26-24(31)27-23(29)18-9-11-21(12-10-18)30-15-13-17(2)3/h6-12,16-17H,4-5,13-15H2,1-3H3,(H,25,28)(H2,26,27,29,31)