2-[(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-propyl-quinazolin-4-one

Systemtic Name: 2-[(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-propyl-quinazolin-4-one Openeye Name: 2-[(1R)-2-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-3-propyl-quinazolin-4-one CAS Name: 2-[[(2R)-1-(4-ethyl-1-piperazin-4-iumyl)-1-oxopropan-2-yl]thio]-3-propyl-4-quinazolinone IUPAC Name: 2-[(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]sulfanyl-3-propylquinazolin-4-one Traditional Name: 2-[[(1R)-2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]thio]-3-propyl-quinazolin-4-one Formula: C20H29N4O2S+ MolecularWeight: 389.53486

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)N3CC[NH+](CC3)CC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)N3CC[NH+](CC3)CC

InChI

InChI=1S/C20H28N4O2S/c1-4-10-24-19(26)16-8-6-7-9-17(16)21-20(24)27-15(3)18(25)23-13-11-22(5-2)12-14-23/h6-9,15H,4-5,10-14H2,1-3H3/p+1/t15-/m1/s1