N-[4-(2-hydroxyethyl)piperazin-1-yl]carbothioyl-3-iodanyl-4-methoxy-benzamide

Systemtic Name: N-[4-(2-hydroxyethyl)piperazin-1-yl]carbothioyl-3-iodanyl-4-methoxy-benzamide Openeye Name: N-[4-(2-hydroxyethyl)piperazine-1-carbothioyl]-3-iodo-4-methoxy-benzamide CAS Name: N-[[4-(2-hydroxyethyl)-1-piperazinyl]-sulfanylidenemethyl]-3-iodo-4-methoxybenzamide IUPAC Name: N-[4-(2-hydroxyethyl)piperazine-1-carbothioyl]-3-iodo-4-methoxybenzamide Traditional Name: N-[4-(2-hydroxyethyl)piperazine-1-carbothioyl]-3-iodo-4-methoxy-benzamide Formula: C15H20IN3O3S MolecularWeight: 449.30707

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)CCO)I

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)CCO)I

InChI

InChI=1S/C15H20IN3O3S/c1-22-13-3-2-11(10-12(13)16)14(21)17-15(23)19-6-4-18(5-7-19)8-9-20/h2-3,10,20H,4-9H2,1H3,(H,17,21,23)