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

Systemtic Name: 1-(5-methylthiophen-2-yl)-4-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]butane-1,4-dione Openeye Name: 1-(5-methyl-2-thienyl)-4-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]butane-1,4-dione CAS Name: 1-(5-methyl-2-thiophenyl)-4-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]butane-1,4-dione IUPAC Name: 1-(5-methylthiophen-2-yl)-4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butane-1,4-dione Traditional Name: 1-[4-(2-keto-3H-benzimidazol-1-yl)piperidino]-4-(5-methyl-2-thienyl)butane-1,4-dione Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)N2CCC(CC2)N3C4=CC=CC=C4NC3=O

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)N2CCC(CC2)N3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C21H23N3O3S/c1-14-6-8-19(28-14)18(25)7-9-20(26)23-12-10-15(11-13-23)24-17-5-3-2-4-16(17)22-21(24)27/h2-6,8,15H,7,9-13H2,1H3,(H,22,27)