N-(3-oxidanylidenepiperazin-1-yl)carbothioyl-4-phenyl-benzamide

Systemtic Name: N-(3-oxidanylidenepiperazin-1-yl)carbothioyl-4-phenyl-benzamide Openeye Name: N-(3-oxopiperazine-1-carbothioyl)-4-phenyl-benzamide CAS Name: N-[(3-oxo-1-piperazinyl)-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-(3-oxopiperazine-1-carbothioyl)-4-phenylbenzamide Traditional Name: N-(3-ketopiperazine-1-carbothioyl)-4-phenyl-benzamide Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC(=O)N1)C(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O2S/c22-16-12-21(11-10-19-16)18(24)20-17(23)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,22)(H,20,23,24)