N-[[4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]butanamide

Systemtic Name: N-[[4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]butanamide Openeye Name: N-[[4-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]butanamide CAS Name: N-[[4-(4-benzoyl-1-piperazinyl)anilino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[4-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]butanamide Traditional Name: N-[[4-(4-benzoylpiperazino)phenyl]thiocarbamoyl]butyramide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC(=O)NC(=S)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4O2S/c1-2-6-20(27)24-22(29)23-18-9-11-19(12-10-18)25-13-15-26(16-14-25)21(28)17-7-4-3-5-8-17/h3-5,7-12H,2,6,13-16H2,1H3,(H2,23,24,27,29)