N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-3-iodanyl-4-methoxy-benzamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-3-iodanyl-4-methoxy-benzamide Openeye Name: N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-3-iodo-4-methoxy-benzamide CAS Name: N-[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]-3-iodo-4-methoxybenzamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-3-iodo-4-methoxybenzamide Traditional Name: N-[2-(cyclohexen-1-yl)ethylthiocarbamoyl]-3-iodo-4-methoxy-benzamide Formula: C17H21IN2O2S MolecularWeight: 444.33031

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NCCC2=CCCCC2)I

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NCCC2=CCCCC2)I

InChI

InChI=1S/C17H21IN2O2S/c1-22-15-8-7-13(11-14(15)18)16(21)20-17(23)19-10-9-12-5-3-2-4-6-12/h5,7-8,11H,2-4,6,9-10H2,1H3,(H2,19,20,21,23)