4-phenethyloxy-N-[(4-piperidin-1-ylcarbonylphenyl)carbamothioyl]benzamide

Systemtic Name: 4-phenethyloxy-N-[(4-piperidin-1-ylcarbonylphenyl)carbamothioyl]benzamide Openeye Name: 4-phenethyloxy-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-[oxo(1-piperidinyl)methyl]anilino]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 4-phenethyloxy-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 4-phenethyloxy-N-[[4-(piperidine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C28H29N3O3S MolecularWeight: 487.61316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)OCCC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)OCCC4=CC=CC=C4

InChI

InChI=1S/C28H29N3O3S/c32-26(22-11-15-25(16-12-22)34-20-17-21-7-3-1-4-8-21)30-28(35)29-24-13-9-23(10-14-24)27(33)31-18-5-2-6-19-31/h1,3-4,7-16H,2,5-6,17-20H2,(H2,29,30,32,35)