N-butan-2-yl-3-[(4-propoxyphenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: N-butan-2-yl-3-[(4-propoxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: 3-[(4-propoxybenzoyl)carbamothioylamino]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-3-[[[[oxo-(4-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butan-2-yl-3-[(4-propoxybenzoyl)carbamothioylamino]benzamide Traditional Name: 3-[(4-propoxybenzoyl)thiocarbamoylamino]-N-sec-butyl-benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC(C)CC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC(C)CC

InChI

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