3-iodanyl-4-methoxy-N-[[1-(phenylmethyl)piperidin-4-yl]carbamothioyl]benzamide

Systemtic Name: 3-iodanyl-4-methoxy-N-[[1-(phenylmethyl)piperidin-4-yl]carbamothioyl]benzamide Openeye Name: N-[(1-benzyl-4-piperidyl)carbamothioyl]-3-iodo-4-methoxy-benzamide CAS Name: 3-iodo-4-methoxy-N-[[[1-(phenylmethyl)-4-piperidinyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[(1-benzylpiperidin-4-yl)carbamothioyl]-3-iodo-4-methoxybenzamide Traditional Name: N-[(1-benzyl-4-piperidyl)thiocarbamoyl]-3-iodo-4-methoxy-benzamide Formula: C21H24IN3O2S MolecularWeight: 509.40363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3)I

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3)I

InChI

InChI=1S/C21H24IN3O2S/c1-27-19-8-7-16(13-18(19)22)20(26)24-21(28)23-17-9-11-25(12-10-17)14-15-5-3-2-4-6-15/h2-8,13,17H,9-12,14H2,1H3,(H2,23,24,26,28)