3-iodanyl-4-methoxy-N-[(2-piperidin-1-ylcarbonylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-iodanyl-4-methoxy-N-[(2-piperidin-1-ylcarbonylphenyl)carbamothioyl]benzamide Openeye Name: 3-iodo-4-methoxy-N-[[2-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 3-iodo-4-methoxy-N-[[2-[oxo(1-piperidinyl)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methoxy-N-[[2-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-iodo-4-methoxy-N-[[2-(piperidine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C21H22IN3O3S MolecularWeight: 523.38715

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCCC3)I

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCCC3)I

InChI

InChI=1S/C21H22IN3O3S/c1-28-18-10-9-14(13-16(18)22)19(26)24-21(29)23-17-8-4-3-7-15(17)20(27)25-11-5-2-6-12-25/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H2,23,24,26,29)