N-butyl-2-[[3-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]benzamide

Systemtic Name: N-butyl-2-[[3-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]benzamide Openeye Name: N-butyl-2-[(3-isopentyloxybenzoyl)carbamothioylamino]benzamide CAS Name: N-butyl-2-[[[[[3-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butyl-2-[[3-(3-methylbutoxy)benzoyl]carbamothioylamino]benzamide Traditional Name: N-butyl-2-[(3-isoamoxybenzoyl)thiocarbamoylamino]benzamide Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=CC=C2)OCCC(C)C

Isomeric SMILES

CCCCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=CC=C2)OCCC(C)C

InChI

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