1-(5-chloranylthiophen-2-yl)-4-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]butane-1,4-dione

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-4-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]butane-1,4-dione Openeye Name: 1-(5-chloro-2-thienyl)-4-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]butane-1,4-dione CAS Name: 1-(5-chloro-2-thiophenyl)-4-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]butane-1,4-dione IUPAC Name: 1-(5-chlorothiophen-2-yl)-4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butane-1,4-dione Traditional Name: 1-(5-chloro-2-thienyl)-4-[4-(2-keto-3H-benzimidazol-1-yl)piperidino]butane-1,4-dione Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)CCC(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)CCC(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C20H20ClN3O3S/c21-18-7-6-17(28-18)16(25)5-8-19(26)23-11-9-13(10-12-23)24-15-4-2-1-3-14(15)22-20(24)27/h1-4,6-7,13H,5,8-12H2,(H,22,27)