2-[(1R)-1-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanylethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1R)-1-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanylethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]sulfanylethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]thio]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)thio]ethyl]-1H-quinazolin-4-one Formula: C24H27N5O3S2 MolecularWeight: 497.63288

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SC(C)C4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1S[C@H](C)C4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C24H27N5O3S2/c1-3-29-21-12-11-17(34(31,32)28-13-7-4-8-14-28)15-20(21)26-24(29)33-16(2)22-25-19-10-6-5-9-18(19)23(30)27-22/h5-6,9-12,15-16H,3-4,7-8,13-14H2,1-2H3,(H,25,27,30)/t16-/m1/s1