4-(1H-benzimidazol-2-ylsulfanyl)-1-(4-phenylpiperazin-1-yl)butane-1,3-dione

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyl)-1-(4-phenylpiperazin-1-yl)butane-1,3-dione Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyl)-1-(4-phenylpiperazin-1-yl)butane-1,3-dione CAS Name: 4-(1H-benzimidazol-2-ylthio)-1-(4-phenyl-1-piperazinyl)butane-1,3-dione IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyl)-1-(4-phenylpiperazin-1-yl)butane-1,3-dione Traditional Name: 4-(1H-benzimidazol-2-ylthio)-1-(4-phenylpiperazino)butane-1,3-dione Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CC(=O)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CC(=O)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H22N4O2S/c26-17(15-28-21-22-18-8-4-5-9-19(18)23-21)14-20(27)25-12-10-24(11-13-25)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,22,23)