2-(3-methylbutoxy)-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 2-(3-methylbutoxy)-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 2-isopentyloxy-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 2-(3-methylbutoxy)-N-[[2-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-(3-methylbutoxy)-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 2-isoamoxy-N-[(2-methyl-3-propionamido-phenyl)thiocarbamoyl]benzamide Formula: C23H29N3O3S MolecularWeight: 427.55966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=CC=C1)NC(=S)NC(=O)C2=CC=CC=C2OCCC(C)C)C

Isomeric SMILES

CCC(=O)NC1=C(C(=CC=C1)NC(=S)NC(=O)C2=CC=CC=C2OCCC(C)C)C

InChI

InChI=1S/C23H29N3O3S/c1-5-21(27)24-18-10-8-11-19(16(18)4)25-23(30)26-22(28)17-9-6-7-12-20(17)29-14-13-15(2)3/h6-12,15H,5,13-14H2,1-4H3,(H,24,27)(H2,25,26,28,30)