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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N(C)C

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N(C)C

InChI

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