3-[[3-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]-N-propyl-benzamide

Systemtic Name: 3-[[3-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]-N-propyl-benzamide Openeye Name: 3-[(3-isobutoxybenzoyl)carbamothioylamino]-N-propyl-benzamide CAS Name: 3-[[[[[3-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-propylbenzamide IUPAC Name: 3-[[3-(2-methylpropoxy)benzoyl]carbamothioylamino]-N-propylbenzamide Traditional Name: 3-[(3-isobutoxybenzoyl)thiocarbamoylamino]-N-propyl-benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCC(C)C

Isomeric SMILES

CCCNC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCC(C)C

InChI

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