N-(2-ethyl-3-oxidanylidene-piperazin-1-yl)carbothioyl-4-phenyl-benzamide

Systemtic Name: N-(2-ethyl-3-oxidanylidene-piperazin-1-yl)carbothioyl-4-phenyl-benzamide Openeye Name: N-(2-ethyl-3-oxo-piperazine-1-carbothioyl)-4-phenyl-benzamide CAS Name: N-[(2-ethyl-3-oxo-1-piperazinyl)-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-(2-ethyl-3-oxopiperazine-1-carbothioyl)-4-phenylbenzamide Traditional Name: N-(2-ethyl-3-keto-piperazine-1-carbothioyl)-4-phenyl-benzamide Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)NCCN1C(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCC1C(=O)NCCN1C(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O2S/c1-2-17-19(25)21-12-13-23(17)20(26)22-18(24)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,17H,2,12-13H2,1H3,(H,21,25)(H,22,24,26)