3-cyclopentyl-2-[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-cyclopentyl-2-[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]sulfanyl-quinazolin-4-one Openeye Name: 2-[(1R)-2-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-3-cyclopentyl-quinazolin-4-one CAS Name: 3-cyclopentyl-2-[[(2R)-1-oxo-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]propan-2-yl]thio]-4-quinazolinone IUPAC Name: 2-[(2R)-1-(4-benzylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]sulfanyl-3-cyclopentylquinazolin-4-one Traditional Name: 2-[[(1R)-2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]thio]-3-cyclopentyl-quinazolin-4-one Formula: C27H33N4O2S+ MolecularWeight: 477.64152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=O)N3C5CCCC5

Isomeric SMILES

C[C@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=O)N3C5CCCC5

InChI

InChI=1S/C27H32N4O2S/c1-20(25(32)30-17-15-29(16-18-30)19-21-9-3-2-4-10-21)34-27-28-24-14-8-7-13-23(24)26(33)31(27)22-11-5-6-12-22/h2-4,7-10,13-14,20,22H,5-6,11-12,15-19H2,1H3/p+1/t20-/m1/s1