3-iodanyl-4-methoxy-N-(4-phenylpiperazin-1-yl)carbothioyl-benzamide

Systemtic Name: 3-iodanyl-4-methoxy-N-(4-phenylpiperazin-1-yl)carbothioyl-benzamide Openeye Name: 3-iodo-4-methoxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide CAS Name: 3-iodo-4-methoxy-N-[(4-phenyl-1-piperazinyl)-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methoxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide Traditional Name: 3-iodo-4-methoxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide Formula: C19H20IN3O2S MolecularWeight: 481.35047

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=C3)I

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=C3)I

InChI

InChI=1S/C19H20IN3O2S/c1-25-17-8-7-14(13-16(17)20)18(24)21-19(26)23-11-9-22(10-12-23)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H,21,24,26)