N-butyl-3-[(4-propan-2-yloxyphenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: N-butyl-3-[(4-propan-2-yloxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N-butyl-3-[(4-isopropoxybenzoyl)carbamothioylamino]benzamide CAS Name: N-butyl-3-[[[[oxo-(4-propan-2-yloxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butyl-3-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzamide Traditional Name: N-butyl-3-[(4-isopropoxybenzoyl)thiocarbamoylamino]benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-4-5-13-23-20(26)17-7-6-8-18(14-17)24-22(29)25-21(27)16-9-11-19(12-10-16)28-15(2)3/h6-12,14-15H,4-5,13H2,1-3H3,(H,23,26)(H2,24,25,27,29)