3-(3-methylbutoxy)-N-[(3-piperidin-1-ylcarbonylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-(3-methylbutoxy)-N-[(3-piperidin-1-ylcarbonylphenyl)carbamothioyl]benzamide Openeye Name: 3-isopentyloxy-N-[[3-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 3-(3-methylbutoxy)-N-[[3-[oxo(1-piperidinyl)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-(3-methylbutoxy)-N-[[3-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-isoamoxy-N-[[3-(piperidine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C25H31N3O3S MolecularWeight: 453.59694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N3CCCCC3

Isomeric SMILES

CC(C)CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N3CCCCC3

InChI

InChI=1S/C25H31N3O3S/c1-18(2)12-15-31-22-11-7-8-19(17-22)23(29)27-25(32)26-21-10-6-9-20(16-21)24(30)28-13-4-3-5-14-28/h6-11,16-18H,3-5,12-15H2,1-2H3,(H2,26,27,29,32)