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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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