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

Systemtic Name: N-ethyl-3-[[4-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]benzamide Openeye Name: N-ethyl-3-[(4-isopentyloxybenzoyl)carbamothioylamino]benzamide CAS Name: N-ethyl-3-[[[[[4-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-ethyl-3-[[4-(3-methylbutoxy)benzoyl]carbamothioylamino]benzamide Traditional Name: N-ethyl-3-[(4-isoamoxybenzoyl)thiocarbamoylamino]benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-4-23-20(26)17-6-5-7-18(14-17)24-22(29)25-21(27)16-8-10-19(11-9-16)28-13-12-15(2)3/h5-11,14-15H,4,12-13H2,1-3H3,(H,23,26)(H2,24,25,27,29)