2-[4-(4-ethylpiperazin-1-yl)carbothioyl-2-iodanyl-6-methoxy-phenoxy]-N-(3-methylphenyl)ethanamide

Systemtic Name: 2-[4-(4-ethylpiperazin-1-yl)carbothioyl-2-iodanyl-6-methoxy-phenoxy]-N-(3-methylphenyl)ethanamide Openeye Name: 2-[4-(4-ethylpiperazine-1-carbothioyl)-2-iodo-6-methoxy-phenoxy]-N-(m-tolyl)acetamide CAS Name: 2-[4-[(4-ethyl-1-piperazinyl)-sulfanylidenemethyl]-2-iodo-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[4-(4-ethylpiperazine-1-carbothioyl)-2-iodo-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide Traditional Name: 2-[4-(4-ethylpiperazine-1-carbothioyl)-2-iodo-6-methoxy-phenoxy]-N-(m-tolyl)acetamide Formula: C23H28IN3O3S MolecularWeight: 553.45619

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=S)C2=CC(=C(C(=C2)I)OCC(=O)NC3=CC=CC(=C3)C)OC

Isomeric SMILES

CCN1CCN(CC1)C(=S)C2=CC(=C(C(=C2)I)OCC(=O)NC3=CC=CC(=C3)C)OC

InChI

InChI=1S/C23H28IN3O3S/c1-4-26-8-10-27(11-9-26)23(31)17-13-19(24)22(20(14-17)29-3)30-15-21(28)25-18-7-5-6-16(2)12-18/h5-7,12-14H,4,8-11,15H2,1-3H3,(H,25,28)