2-[2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanylbenzimidazol-1-yl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanylbenzimidazol-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[2-[2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]sulfanylbenzimidazol-1-yl]-1-morpholino-ethanone CAS Name: 2-[2-[[2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl]thio]-1-benzimidazolyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[2-[[2-keto-2-[(3S)-3-methylpiperidino]ethyl]thio]benzimidazol-1-yl]-1-morpholino-ethanone Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3N2CC(=O)N4CCOCC4

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3N2CC(=O)N4CCOCC4

InChI

InChI=1S/C21H28N4O3S/c1-16-5-4-8-24(13-16)20(27)15-29-21-22-17-6-2-3-7-18(17)25(21)14-19(26)23-9-11-28-12-10-23/h2-3,6-7,16H,4-5,8-15H2,1H3/t16-/m0/s1