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

Systemtic Name: N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-3-iodanyl-4-methyl-benzamide Openeye Name: N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-3-iodo-4-methyl-benzamide CAS Name: N-[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-3-iodo-4-methylbenzamide Traditional Name: N-[2-(cyclohexen-1-yl)ethylthiocarbamoyl]-3-iodo-4-methyl-benzamide Formula: C17H21IN2OS MolecularWeight: 428.33091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NCCC2=CCCCC2)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NCCC2=CCCCC2)I

InChI

InChI=1S/C17H21IN2OS/c1-12-7-8-14(11-15(12)18)16(21)20-17(22)19-10-9-13-5-3-2-4-6-13/h5,7-8,11H,2-4,6,9-10H2,1H3,(H2,19,20,21,22)