3-iodanyl-4-methyl-N-(3-oxidanylidenepiperazin-1-yl)carbothioyl-benzamide

Systemtic Name: 3-iodanyl-4-methyl-N-(3-oxidanylidenepiperazin-1-yl)carbothioyl-benzamide Openeye Name: 3-iodo-4-methyl-N-(3-oxopiperazine-1-carbothioyl)benzamide CAS Name: 3-iodo-4-methyl-N-[(3-oxo-1-piperazinyl)-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methyl-N-(3-oxopiperazine-1-carbothioyl)benzamide Traditional Name: 3-iodo-N-(3-ketopiperazine-1-carbothioyl)-4-methyl-benzamide Formula: C13H14IN3O2S MolecularWeight: 403.23863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2)I

InChI

InChI=1S/C13H14IN3O2S/c1-8-2-3-9(6-10(8)14)12(19)16-13(20)17-5-4-15-11(18)7-17/h2-3,6H,4-5,7H2,1H3,(H,15,18)(H,16,19,20)