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

Systemtic Name: 7-chloranyl-2-[(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-propyl-quinazolin-4-one Openeye Name: 7-chloro-2-[(1R)-2-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-3-propyl-quinazolin-4-one CAS Name: 7-chloro-2-[[(2R)-1-(4-ethyl-1-piperazin-4-iumyl)-1-oxopropan-2-yl]thio]-3-propyl-4-quinazolinone IUPAC Name: 7-chloro-2-[(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]sulfanyl-3-propylquinazolin-4-one Traditional Name: 7-chloro-2-[[(1R)-2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]thio]-3-propyl-quinazolin-4-one Formula: C20H28ClN4O2S+ MolecularWeight: 423.97992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClN4O2S/c1-4-8-25-19(27)16-7-6-15(21)13-17(16)22-20(25)28-14(3)18(26)24-11-9-23(5-2)10-12-24/h6-7,13-14H,4-5,8-12H2,1-3H3/p+1/t14-/m1/s1