(E)-3-(4-methylphenyl)-N-(3-oxidanylidenepiperazin-1-yl)carbothioyl-prop-2-enamide

Systemtic Name: (E)-3-(4-methylphenyl)-N-(3-oxidanylidenepiperazin-1-yl)carbothioyl-prop-2-enamide Openeye Name: (E)-N-(3-oxopiperazine-1-carbothioyl)-3-(p-tolyl)prop-2-enamide CAS Name: (E)-3-(4-methylphenyl)-N-[(3-oxo-1-piperazinyl)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-methylphenyl)-N-(3-oxopiperazine-1-carbothioyl)prop-2-enamide Traditional Name: (E)-N-(3-ketopiperazine-1-carbothioyl)-3-(p-tolyl)acrylamide Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)N2CCNC(=O)C2

InChI

InChI=1S/C15H17N3O2S/c1-11-2-4-12(5-3-11)6-7-13(19)17-15(21)18-9-8-16-14(20)10-18/h2-7H,8-10H2,1H3,(H,16,20)(H,17,19,21)/b7-6+